N-[7-(3-cyano-2-methoxyanilino)-2-(difluoromethyl)-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide

C19H16F2N6O2 — CID 134456298

IUPACN-[7-(3-cyano-2-methoxyanilino)-2-(difluoromethyl)-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
SMILESCOc1c(C#N)cccc1Nc1cc(NC(=O)C2CC2)nc2nc(C(F)F)[nH]c12
InChIInChI=1S/C19H16F2N6O2/c1-29-15-10(8-22)3-2-4-11(15)23-12-7-13(25-19(28)9-5-6-9)24-17-14(12)26-18(27-17)16(20)21/h2-4,7,9,16H,5-6H2,1H3,(H3,23,24,25,26,27,28)
InChIKeyBSQYNGPXDNAYPY-UHFFFAOYSA-N
MW398.37 g/mol
LogP3.87
Rot. Bonds6

About N-[7-(3-cyano-2-methoxyanilino)-2-(difluoromethyl)-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide

N-[7-(3-cyano-2-methoxyanilino)-2-(difluoromethyl)-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide (PubChem CID 134456298) has the molecular formula C19H16F2N6O2 and a molecular weight of 398.37 g/mol. Its IUPAC name is N-[7-(3-cyano-2-methoxyanilino)-2-(difluoromethyl)-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[7-(3-cyano-2-methoxyanilino)-2-(difluoromethyl)-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
PubChem CID134456298
Molecular FormulaC19H16F2N6O2
Molecular Weight398.37 g/mol
Exact Mass398.13
IUPAC NameN-[7-(3-cyano-2-methoxyanilino)-2-(difluoromethyl)-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
SMILESCOc1c(C#N)cccc1Nc1cc(NC(=O)C2CC2)nc2nc(C(F)F)[nH]c12
InChIInChI=1S/C19H16F2N6O2/c1-29-15-10(8-22)3-2-4-11(15)23-12-7-13(25-19(28)9-5-6-9)24-17-14(12)26-18(27-17)16(20)21/h2-4,7,9,16H,5-6H2,1H3,(H3,23,24,25,26,27,28)
InChIKeyBSQYNGPXDNAYPY-UHFFFAOYSA-N
XLogP3.87
TPSA115.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.37
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
CID 134455535
N-[2-(difluoromethyl)-7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
CID 134455538
6-[[2-(difluoromethyl)-7-[3-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-methoxyanilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile
CID 134455555
6-[[2-(difluoromethyl)-7-[2-methoxy-3-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile
CID 134455612
6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile
CID 134455651
cis-(1S,2S)-2-fluoro-N-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropane-1-carboxamide
CID 134455764
(1R,2R)-N-[2-(difluoromethyl)-7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]-2-fluorocyclopropane-1-carboxamide
CID 134455940
(1S,2S)-N-[2-(difluoromethyl)-7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]-2-fluorocyclopropane-1-carboxamide
CID 134455985
6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile
CID 134456114
(2S)-2-fluoro-N-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropane-1-carboxamide
CID 134456144
6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]-4-methylpyridine-2-carbonitrile
CID 134456331
6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-(2-oxopyrrolidin-1-yl)pyridine-2-carbonitrile
CID 134456551

Frequently Asked Questions

What is the IUPAC name of N-[7-(3-cyano-2-methoxyanilino)-2-(difluoromethyl)-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide?
The IUPAC name of N-[7-(3-cyano-2-methoxyanilino)-2-(difluoromethyl)-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide (CID 134456298) is N-[7-(3-cyano-2-methoxyanilino)-2-(difluoromethyl)-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[7-(3-cyano-2-methoxyanilino)-2-(difluoromethyl)-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[7-(3-cyano-2-methoxyanilino)-2-(difluoromethyl)-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide is COc1c(C#N)cccc1Nc1cc(NC(=O)C2CC2)nc2nc(C(F)F)[nH]c12.
What is the InChIKey of N-[7-(3-cyano-2-methoxyanilino)-2-(difluoromethyl)-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide?
The InChIKey is BSQYNGPXDNAYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N6O2/c1-29-15-10(8-22)3-2-4-11(15)23-12-7-13(25-19(28)9-5-6-9)24-17-14(12)26-18(27-17)16(20)21/h2-4,7,9,16H,5-6H2,1H3,(H3,23,24,25,26,27,28).
What are the key properties of N-[7-(3-cyano-2-methoxyanilino)-2-(difluoromethyl)-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide?
N-[7-(3-cyano-2-methoxyanilino)-2-(difluoromethyl)-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide has a molecular weight of 398.37 g/mol, XLogP of 3.87, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(3-cyano-2-methoxyanilino)-2-(difluoromethyl)-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide is sourced from PubChem (CID 134456298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).