vericiguat   Click here for help

GtoPdb Ligand ID: 10010

Synonyms: BAY-1021189 | MK-1242 | Verquvo®
Approved drug
vericiguat is an approved drug (FDA (2021))
Compound class: Synthetic organic
Comment: Vericiguat is a novel oral soluble guanylate cyclase (sGC) stimulator [4]. It was initially developed for potential to reduce mortality and morbidity associated with chronic heart failure with reduced ejection fraction.
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 9
Hydrogen bond donors 3
Rotatable bonds 6
Topological polar surface area 146.86
Molecular weight 426.14
XLogP 2.36
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES COC(=O)Nc1c(N)nc(nc1N)c1nn(c2c1cc(F)cn2)Cc1ccccc1F
Isomeric SMILES COC(=O)Nc1c(N)nc(nc1N)c1nn(c2c1cc(F)cn2)Cc1ccccc1F
InChI InChI=1S/C19H16F2N8O2/c1-31-19(30)25-14-15(22)26-17(27-16(14)23)13-11-6-10(20)7-24-18(11)29(28-13)8-9-4-2-3-5-12(9)21/h2-7H,8H2,1H3,(H,25,30)(H4,22,23,26,27)
InChI Key QZFHIXARHDBPBY-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (2021))
IUPAC Name Click here for help
methyl N-[4,6-diamino-2-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-5-yl]carbamate
Synonyms Click here for help
BAY-1021189 | MK-1242 | Verquvo®
Database Links Click here for help
CAS Registry No. 1350653-20-1
GtoPdb PubChem SID 374883897
PubChem CID 54674461
Search Google for chemical match using the InChIKey QZFHIXARHDBPBY-UHFFFAOYSA-N
Search Google for chemicals with the same backbone QZFHIXARHDBPBY
Search UniChem for chemical match using the InChIKey QZFHIXARHDBPBY-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone QZFHIXARHDBPBY