N-[7-[4-(1-methoxyethyl)-2-methylsulfonylanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide

C21H25N5O4S — CID 134456014

IUPACN-[7-[4-(1-methoxyethyl)-2-methylsulfonylanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
SMILESCOC(C)c1ccc(Nc2cc(NC(=O)C3CC3)nc3nc(C)[nH]c23)c(S(C)(=O)=O)c1
InChIInChI=1S/C21H25N5O4S/c1-11(30-3)14-7-8-15(17(9-14)31(4,28)29)24-16-10-18(26-21(27)13-5-6-13)25-20-19(16)22-12(2)23-20/h7-11,13H,5-6H2,1-4H3,(H3,22,23,24,25,26,27)
InChIKeyFVQXYPTYTODGGU-UHFFFAOYSA-N
MW443.53 g/mol
LogP3.47
Rot. Bonds7

About N-[7-[4-(1-methoxyethyl)-2-methylsulfonylanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide

N-[7-[4-(1-methoxyethyl)-2-methylsulfonylanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide (PubChem CID 134456014) has the molecular formula C21H25N5O4S and a molecular weight of 443.53 g/mol. Its IUPAC name is N-[7-[4-(1-methoxyethyl)-2-methylsulfonylanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[7-[4-(1-methoxyethyl)-2-methylsulfonylanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
PubChem CID134456014
Molecular FormulaC21H25N5O4S
Molecular Weight443.53 g/mol
Exact Mass443.16
IUPAC NameN-[7-[4-(1-methoxyethyl)-2-methylsulfonylanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
SMILESCOC(C)c1ccc(Nc2cc(NC(=O)C3CC3)nc3nc(C)[nH]c23)c(S(C)(=O)=O)c1
InChIInChI=1S/C21H25N5O4S/c1-11(30-3)14-7-8-15(17(9-14)31(4,28)29)24-16-10-18(26-21(27)13-5-6-13)25-20-19(16)22-12(2)23-20/h7-11,13H,5-6H2,1-4H3,(H3,22,23,24,25,26,27)
InChIKeyFVQXYPTYTODGGU-UHFFFAOYSA-N
XLogP3.47
TPSA126.07 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

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-[2-(difluoromethyl)-7-[4-(3-methylpyrazol-1-yl)-2-methylsulfonylanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
CID 134455711
N-[7-[2-methoxy-4-(pyrrolidine-1-carbonyl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
CID 134455289
N-[2-(difluoromethyl)-7-[2-methylsulfonyl-4-(1,4,5-trimethylpyrazol-3-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
CID 134456409
N-[2-methyl-7-[2-methylsulfanyl-4-(trifluoromethyl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
CID 142334549
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-[2-(difluoromethyl)-7-[4-(1,4-dioxan-2-yl)-2-methylsulfonylanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
CID 134456300
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-[2-(ethylsulfonylamino)-4-(3-methylimidazol-4-yl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
CID 134495675
cyclopropyl-[[2-methyl-7-[2-methylsulfonyl-4-(oxan-2-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]methanol
CID 134455944
N-[7-[3-(1,5-dimethyltriazol-4-yl)-2-methoxyanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
CID 134455369

Frequently Asked Questions

What is the IUPAC name of N-[7-[4-(1-methoxyethyl)-2-methylsulfonylanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide?
The IUPAC name of N-[7-[4-(1-methoxyethyl)-2-methylsulfonylanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide (CID 134456014) is N-[7-[4-(1-methoxyethyl)-2-methylsulfonylanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[7-[4-(1-methoxyethyl)-2-methylsulfonylanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[7-[4-(1-methoxyethyl)-2-methylsulfonylanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide is COC(C)c1ccc(Nc2cc(NC(=O)C3CC3)nc3nc(C)[nH]c23)c(S(C)(=O)=O)c1.
What is the InChIKey of N-[7-[4-(1-methoxyethyl)-2-methylsulfonylanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide?
The InChIKey is FVQXYPTYTODGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O4S/c1-11(30-3)14-7-8-15(17(9-14)31(4,28)29)24-16-10-18(26-21(27)13-5-6-13)25-20-19(16)22-12(2)23-20/h7-11,13H,5-6H2,1-4H3,(H3,22,23,24,25,26,27).
What are the key properties of N-[7-[4-(1-methoxyethyl)-2-methylsulfonylanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide?
N-[7-[4-(1-methoxyethyl)-2-methylsulfonylanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide has a molecular weight of 443.53 g/mol, XLogP of 3.47, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[4-(1-methoxyethyl)-2-methylsulfonylanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide is sourced from PubChem (CID 134456014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).