ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-1-methylimidazo[4,5-c]pyridin-6-yl]pyrazole-3-carboxylate

C19H22F2N6O2 — CID 139300185

IUPACethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-1-methylimidazo[4,5-c]pyridin-6-yl]pyrazole-3-carboxylate
SMILESCCOC(=O)c1ccn(-c2cc3c(ncn3C)c(NC3CCC(F)(F)CC3)n2)n1
InChIInChI=1S/C19H22F2N6O2/c1-3-29-18(28)13-6-9-27(25-13)15-10-14-16(22-11-26(14)2)17(24-15)23-12-4-7-19(20,21)8-5-12/h6,9-12H,3-5,7-8H2,1-2H3,(H,23,24)
InChIKeyGQOPQALNPXLBCN-UHFFFAOYSA-N
MW404.42 g/mol
LogP3.32
Rot. Bonds5

About ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-1-methylimidazo[4,5-c]pyridin-6-yl]pyrazole-3-carboxylate

ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-1-methylimidazo[4,5-c]pyridin-6-yl]pyrazole-3-carboxylate (PubChem CID 139300185) has the molecular formula C19H22F2N6O2 and a molecular weight of 404.42 g/mol. Its IUPAC name is ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-1-methylimidazo[4,5-c]pyridin-6-yl]pyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-1-methylimidazo[4,5-c]pyridin-6-yl]pyrazole-3-carboxylate
PubChem CID139300185
Molecular FormulaC19H22F2N6O2
Molecular Weight404.42 g/mol
Exact Mass404.18
IUPAC Nameethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-1-methylimidazo[4,5-c]pyridin-6-yl]pyrazole-3-carboxylate
SMILESCCOC(=O)c1ccn(-c2cc3c(ncn3C)c(NC3CCC(F)(F)CC3)n2)n1
InChIInChI=1S/C19H22F2N6O2/c1-3-29-18(28)13-6-9-27(25-13)15-10-14-16(22-11-26(14)2)17(24-15)23-12-4-7-19(20,21)8-5-12/h6,9-12H,3-5,7-8H2,1-2H3,(H,23,24)
InChIKeyGQOPQALNPXLBCN-UHFFFAOYSA-N
XLogP3.32
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-1-methylimidazo[4,5-c]pyridin-6-yl]pyrazole-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-1-methylimidazo[4,5-c]pyridin-6-yl]pyrazole-3-carboxylate?
The IUPAC name of ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-1-methylimidazo[4,5-c]pyridin-6-yl]pyrazole-3-carboxylate (CID 139300185) is ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-1-methylimidazo[4,5-c]pyridin-6-yl]pyrazole-3-carboxylate.
What is the SMILES notation for ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-1-methylimidazo[4,5-c]pyridin-6-yl]pyrazole-3-carboxylate?
The canonical SMILES for ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-1-methylimidazo[4,5-c]pyridin-6-yl]pyrazole-3-carboxylate is CCOC(=O)c1ccn(-c2cc3c(ncn3C)c(NC3CCC(F)(F)CC3)n2)n1.
What is the InChIKey of ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-1-methylimidazo[4,5-c]pyridin-6-yl]pyrazole-3-carboxylate?
The InChIKey is GQOPQALNPXLBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N6O2/c1-3-29-18(28)13-6-9-27(25-13)15-10-14-16(22-11-26(14)2)17(24-15)23-12-4-7-19(20,21)8-5-12/h6,9-12H,3-5,7-8H2,1-2H3,(H,23,24).
What are the key properties of ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-1-methylimidazo[4,5-c]pyridin-6-yl]pyrazole-3-carboxylate?
ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-1-methylimidazo[4,5-c]pyridin-6-yl]pyrazole-3-carboxylate has a molecular weight of 404.42 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-1-methylimidazo[4,5-c]pyridin-6-yl]pyrazole-3-carboxylate is sourced from PubChem (CID 139300185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).