N-[7-[2-(ethylsulfonylamino)-4-(3-methylimidazol-4-yl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide

C23H26N8O3S — CID 134495675

IUPACN-[7-[2-(ethylsulfonylamino)-4-(3-methylimidazol-4-yl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
SMILESCCS(=O)(=O)Nc1cc(-c2cncn2C)ccc1Nc1cc(NC(=O)C2CC2)nc2nc(C)[nH]c12
InChIInChI=1S/C23H26N8O3S/c1-4-35(33,34)30-17-9-15(19-11-24-12-31(19)3)7-8-16(17)27-18-10-20(29-23(32)14-5-6-14)28-22-21(18)25-13(2)26-22/h7-12,14,30H,4-6H2,1-3H3,(H3,25,26,27,28,29,32)
InChIKeyIAAYQDLTQOPKLM-UHFFFAOYSA-N
MW494.58 g/mol
LogP3.52
Rot. Bonds8

About N-[7-[2-(ethylsulfonylamino)-4-(3-methylimidazol-4-yl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide

N-[7-[2-(ethylsulfonylamino)-4-(3-methylimidazol-4-yl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide (PubChem CID 134495675) has the molecular formula C23H26N8O3S and a molecular weight of 494.58 g/mol. Its IUPAC name is N-[7-[2-(ethylsulfonylamino)-4-(3-methylimidazol-4-yl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[7-[2-(ethylsulfonylamino)-4-(3-methylimidazol-4-yl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
PubChem CID134495675
Molecular FormulaC23H26N8O3S
Molecular Weight494.58 g/mol
Exact Mass494.18
IUPAC NameN-[7-[2-(ethylsulfonylamino)-4-(3-methylimidazol-4-yl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
SMILESCCS(=O)(=O)Nc1cc(-c2cncn2C)ccc1Nc1cc(NC(=O)C2CC2)nc2nc(C)[nH]c12
InChIInChI=1S/C23H26N8O3S/c1-4-35(33,34)30-17-9-15(19-11-24-12-31(19)3)7-8-16(17)27-18-10-20(29-23(32)14-5-6-14)28-22-21(18)25-13(2)26-22/h7-12,14,30H,4-6H2,1-3H3,(H3,25,26,27,28,29,32)
InChIKeyIAAYQDLTQOPKLM-UHFFFAOYSA-N
XLogP3.52
TPSA146.69 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.58
LogP ≤ 53.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

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
(1R)-N-[7-[2-(ethylsulfonylamino)-4-(1-methylpyrazol-4-yl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]-2,2-difluorocyclopropane-1-carboxamide
CID 134495679
N-[2-(difluoromethyl)-7-[4-(1,5-dimethylpyrazol-3-yl)-2-(ethylsulfonylamino)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
CID 134495636
2,2-difluoro-N-[2-methyl-7-[4-(3-methylimidazol-4-yl)-2-[methyl(methylsulfonyl)amino]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropane-1-carboxamide
CID 134455903
N-[4-[2-(ethylsulfonylamino)-4-methylanilino]-2-methyl-3-oxo-1H-pyrazolo[3,4-b]pyridin-6-yl]cyclopropanecarboxamide
CID 134563084
N-[7-[4-(3,5-dimethylfuran-2-yl)-2-methylsulfonylanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
CID 134456677
N-[7-(2-dimethylphosphorylanilino)-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
CID 134455389
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
N-[7-[4-(1-methoxyethyl)-2-methylsulfonylanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
CID 134456014
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-[2-methylsulfanyl-4-(trifluoromethyl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
CID 142334549
trans-(1R,2S)-2-fluoro-N-[2-methyl-7-[2-[methyl(methylsulfonyl)amino]-4-(1-methylpyrazol-4-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropane-1-carboxamide
CID 134456137

Frequently Asked Questions

What is the IUPAC name of N-[7-[2-(ethylsulfonylamino)-4-(3-methylimidazol-4-yl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide?
The IUPAC name of N-[7-[2-(ethylsulfonylamino)-4-(3-methylimidazol-4-yl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide (CID 134495675) is N-[7-[2-(ethylsulfonylamino)-4-(3-methylimidazol-4-yl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[7-[2-(ethylsulfonylamino)-4-(3-methylimidazol-4-yl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[7-[2-(ethylsulfonylamino)-4-(3-methylimidazol-4-yl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide is CCS(=O)(=O)Nc1cc(-c2cncn2C)ccc1Nc1cc(NC(=O)C2CC2)nc2nc(C)[nH]c12.
What is the InChIKey of N-[7-[2-(ethylsulfonylamino)-4-(3-methylimidazol-4-yl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide?
The InChIKey is IAAYQDLTQOPKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N8O3S/c1-4-35(33,34)30-17-9-15(19-11-24-12-31(19)3)7-8-16(17)27-18-10-20(29-23(32)14-5-6-14)28-22-21(18)25-13(2)26-22/h7-12,14,30H,4-6H2,1-3H3,(H3,25,26,27,28,29,32).
What are the key properties of N-[7-[2-(ethylsulfonylamino)-4-(3-methylimidazol-4-yl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide?
N-[7-[2-(ethylsulfonylamino)-4-(3-methylimidazol-4-yl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide has a molecular weight of 494.58 g/mol, XLogP of 3.52, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[2-(ethylsulfonylamino)-4-(3-methylimidazol-4-yl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide is sourced from PubChem (CID 134495675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).