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

C22H22F2N8O2 — CID 134456350

IUPACN-[2-(difluoromethyl)-7-[3-(3,5-dimethyltriazol-4-yl)-2-methoxyanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
SMILESCOc1c(Nc2cc(NC(=O)C3CC3)nc3nc(C(F)F)[nH]c23)cccc1-c1c(C)nnn1C
InChIInChI=1S/C22H22F2N8O2/c1-10-17(32(2)31-30-10)12-5-4-6-13(18(12)34-3)25-14-9-15(27-22(33)11-7-8-11)26-20-16(14)28-21(29-20)19(23)24/h4-6,9,11,19H,7-8H2,1-3H3,(H3,25,26,27,28,29,33)
InChIKeyZAMDMEATVHUPAN-UHFFFAOYSA-N
MW468.47 g/mol
LogP4.10
Rot. Bonds7

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

N-[2-(difluoromethyl)-7-[3-(3,5-dimethyltriazol-4-yl)-2-methoxyanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide (PubChem CID 134456350) has the molecular formula C22H22F2N8O2 and a molecular weight of 468.47 g/mol. Its IUPAC name is N-[2-(difluoromethyl)-7-[3-(3,5-dimethyltriazol-4-yl)-2-methoxyanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(difluoromethyl)-7-[3-(3,5-dimethyltriazol-4-yl)-2-methoxyanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
PubChem CID134456350
Molecular FormulaC22H22F2N8O2
Molecular Weight468.47 g/mol
Exact Mass468.18
IUPAC NameN-[2-(difluoromethyl)-7-[3-(3,5-dimethyltriazol-4-yl)-2-methoxyanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
SMILESCOc1c(Nc2cc(NC(=O)C3CC3)nc3nc(C(F)F)[nH]c23)cccc1-c1c(C)nnn1C
InChIInChI=1S/C22H22F2N8O2/c1-10-17(32(2)31-30-10)12-5-4-6-13(18(12)34-3)25-14-9-15(27-22(33)11-7-8-11)26-20-16(14)28-21(29-20)19(23)24/h4-6,9,11,19H,7-8H2,1-3H3,(H3,25,26,27,28,29,33)
InChIKeyZAMDMEATVHUPAN-UHFFFAOYSA-N
XLogP4.10
TPSA122.64 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.47
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

5-N-(5-fluoro-4-methyl-2-pyridinyl)-7-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine
CID 134455406
6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyltriazol-4-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile
CID 134455487
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
5-N-(7,7-difluoro-5,6-dihydrocyclopenta[b]pyridin-2-yl)-7-N-[2-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-1H-imidazo[4,5-b]pyridine-5,7-diamine
CID 134455543
5-N-(7,7-difluoro-5,6-dihydrocyclopenta[b]pyridin-2-yl)-7-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-2-methyl-1H-imidazo[4,5-b]pyridine-5,7-diamine
CID 134455544
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
3-(azetidin-1-yl)-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 134455641
6-[[2-(difluoromethyl)-7-[2-methoxy-3-(1-methylpyrazol-3-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile
CID 134455643
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
6-[[2-(difluoromethyl)-7-[2-methoxy-3-(1-methylpyrazol-3-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]-4-methylpyridine-2-carbonitrile
CID 134455656

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethyl)-7-[3-(3,5-dimethyltriazol-4-yl)-2-methoxyanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(difluoromethyl)-7-[3-(3,5-dimethyltriazol-4-yl)-2-methoxyanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide (CID 134456350) is N-[2-(difluoromethyl)-7-[3-(3,5-dimethyltriazol-4-yl)-2-methoxyanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(difluoromethyl)-7-[3-(3,5-dimethyltriazol-4-yl)-2-methoxyanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(difluoromethyl)-7-[3-(3,5-dimethyltriazol-4-yl)-2-methoxyanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide is COc1c(Nc2cc(NC(=O)C3CC3)nc3nc(C(F)F)[nH]c23)cccc1-c1c(C)nnn1C.
What is the InChIKey of N-[2-(difluoromethyl)-7-[3-(3,5-dimethyltriazol-4-yl)-2-methoxyanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide?
The InChIKey is ZAMDMEATVHUPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N8O2/c1-10-17(32(2)31-30-10)12-5-4-6-13(18(12)34-3)25-14-9-15(27-22(33)11-7-8-11)26-20-16(14)28-21(29-20)19(23)24/h4-6,9,11,19H,7-8H2,1-3H3,(H3,25,26,27,28,29,33).
What are the key properties of N-[2-(difluoromethyl)-7-[3-(3,5-dimethyltriazol-4-yl)-2-methoxyanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide?
N-[2-(difluoromethyl)-7-[3-(3,5-dimethyltriazol-4-yl)-2-methoxyanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide has a molecular weight of 468.47 g/mol, XLogP of 4.10, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethyl)-7-[3-(3,5-dimethyltriazol-4-yl)-2-methoxyanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide is sourced from PubChem (CID 134456350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).