Nelociguat
methyl N-[4,6-diamino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]carbamate
Molecular Identity
Nelociguat
methyl N-[4,6-diamino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]carbamate
PubChem CID: 11690019
Nelociguat is a member of the class of pyrazolopyridines that is 1H-pyrazolo[3,4-b]pyridine which is substituted by a 2-fluorobenzyl and 4,6-diamino-5-[(methoxycarbonyl)amino]pyrimidin-2-yl groups at positions 1 and 3, respectively. It is an active metabolite of riociguat and a soluble guanylate cyclase stimulator developed by Bayer for the treatment of erectile dysfunction and heart failure. It has a role as a vasodilator agent, an antihypertensive agent, a drug metabolite and a soluble guanylate cyclase activator. It is a carbamate ester, an aminopyrimidine, a pyrazolopyridine and a member of monofluorobenzenes.
2D Structure
Properties
C19H17FN8O2
Molecular Formula
408.40
Molecular Weight
g/mol
408.1458
Exact Mass
Da
1.4
XLogP
Drug-like (Lipinski: < 5)
147
TPSA
May have limited oral absorption
3
H-Bond Donors
9
H-Bond Acceptors
589
Complexity
SMILES
Canonical SMILES
SMILES: COC(=O)NC1=C(N=C(N=C1N)C2=NN(C3=C2C=CC=N3)CC4=CC=CC=C4F)NIsomeric SMILES
SMILES: COC(=O)NC1=C(N=C(N=C1N)C2=NN(C3=C2C=CC=N3)CC4=CC=CC=C4F)NSynonyms(20)
Nelociguat625115-52-8Bay 60-4552BAY60-4552Bay-60-4552nelociguatumM2A18LL56OCarbamic acid, (4,6-diamino-2-(1-((2-fluorophenyl)methyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)-5-pyrimidinyl)-, methyl esterCHEBI:149785Carbamic acid, N-(4,6-diamino-2-(1-((2-fluorophenyl)methyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)-5-pyrimidinyl)-, methyl esterMethyl (4,6-diamino-2-(1-((2-fluorophenyl)methyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)pyrimidin-5-yl)carbamatemethyl (4,6-diamino-2-{1-[(2-fluorophenyl)methyl]-1H-pyrazolo[3,4-b]pyridin-3-yl}pyrimidin-5-yl)carbamateRefChem:165018Methyl (4,6-diamino-2-(1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl)pyrimidin-5-yl)carbamateN-Desmethyl riociguat
Data from PubChem (NCBI)
This platform is for informational purposes only and does not constitute medical advice. Always consult a qualified healthcare professional.
Drug Network
Trials and conditions connected to Nelociguat
Loading drug network...