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

C22H24N8O2 — CID 134455883

IUPACN-[7-[3-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-methoxyanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
SMILESCOc1c(Nc2cc(NC(=O)C3CC3)nc3nc(C)[nH]c23)cccc1-c1nc(C)nn1C
InChIInChI=1S/C22H24N8O2/c1-11-23-18-16(10-17(27-20(18)24-11)28-22(31)13-8-9-13)26-15-7-5-6-14(19(15)32-4)21-25-12(2)29-30(21)3/h5-7,10,13H,8-9H2,1-4H3,(H3,23,24,26,27,28,31)
InChIKeyDPIQTEDFVUSTGS-UHFFFAOYSA-N
MW432.49 g/mol
LogP3.47
Rot. Bonds6

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

N-[7-[3-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-methoxyanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide (PubChem CID 134455883) has the molecular formula C22H24N8O2 and a molecular weight of 432.49 g/mol. Its IUPAC name is N-[7-[3-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-methoxyanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[7-[3-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-methoxyanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
PubChem CID134455883
Molecular FormulaC22H24N8O2
Molecular Weight432.49 g/mol
Exact Mass432.20
IUPAC NameN-[7-[3-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-methoxyanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
SMILESCOc1c(Nc2cc(NC(=O)C3CC3)nc3nc(C)[nH]c23)cccc1-c1nc(C)nn1C
InChIInChI=1S/C22H24N8O2/c1-11-23-18-16(10-17(27-20(18)24-11)28-22(31)13-8-9-13)26-15-7-5-6-14(19(15)32-4)21-25-12(2)29-30(21)3/h5-7,10,13H,8-9H2,1-4H3,(H3,23,24,26,27,28,31)
InChIKeyDPIQTEDFVUSTGS-UHFFFAOYSA-N
XLogP3.47
TPSA122.64 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.49
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

N-[7-[3-(1,5-dimethyltriazol-4-yl)-2-methoxyanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
CID 134455369
N-[7-[3-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-methoxyanilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
CID 134455882
N-[7-(2-dimethylphosphorylanilino)-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
CID 134455389
N-[2-(difluoromethyl)-7-[4-(1,5-dimethylpyrazol-3-yl)-3-fluoro-2-methoxyanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
CID 134456377
N-[7-[2-methoxy-4-(pyrrolidine-1-carbonyl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
CID 134455289
N-[2-methyl-7-[4-(3-methylimidazol-4-yl)-2-[methyl(methylsulfonyl)amino]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
CID 134455410
N-[4-[2-methoxy-3-(1-methylpyrazol-3-yl)anilino]-2-methyl-3-oxo-1H-pyrazolo[3,4-b]pyridin-6-yl]cyclopropanecarboxamide
CID 134438611
N-[7-[4-(1-methoxyethyl)-2-methylsulfonylanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
CID 134456014
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]pyridazine-3-carboxamide
CID 90142086
N-[7-[2-(ethylsulfonylamino)-4-(3-methylimidazol-4-yl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
CID 134495675
4-[3-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-methoxyanilino]-6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide
CID 90153927
N-[2-methyl-7-[2-methylsulfanyl-4-(trifluoromethyl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
CID 142334549

Frequently Asked Questions

What is the IUPAC name of N-[7-[3-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-methoxyanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide?
The IUPAC name of N-[7-[3-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-methoxyanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide (CID 134455883) is N-[7-[3-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-methoxyanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[7-[3-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-methoxyanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[7-[3-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-methoxyanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide is COc1c(Nc2cc(NC(=O)C3CC3)nc3nc(C)[nH]c23)cccc1-c1nc(C)nn1C.
What is the InChIKey of N-[7-[3-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-methoxyanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide?
The InChIKey is DPIQTEDFVUSTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8O2/c1-11-23-18-16(10-17(27-20(18)24-11)28-22(31)13-8-9-13)26-15-7-5-6-14(19(15)32-4)21-25-12(2)29-30(21)3/h5-7,10,13H,8-9H2,1-4H3,(H3,23,24,26,27,28,31).
What are the key properties of N-[7-[3-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-methoxyanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide?
N-[7-[3-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-methoxyanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide has a molecular weight of 432.49 g/mol, XLogP of 3.47, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[3-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-methoxyanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide is sourced from PubChem (CID 134455883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).