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

C21H21F2N5O3S — CID 134455417

IUPACN-[7-(4-cyclopropyl-2-methylsulfonylanilino)-2-(difluoromethyl)-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
SMILESCS(=O)(=O)c1cc(C2CC2)ccc1Nc1cc(NC(=O)C2CC2)nc2nc(C(F)F)[nH]c12
InChIInChI=1S/C21H21F2N5O3S/c1-32(30,31)15-8-12(10-2-3-10)6-7-13(15)24-14-9-16(26-21(29)11-4-5-11)25-19-17(14)27-20(28-19)18(22)23/h6-11,18H,2-5H2,1H3,(H3,24,25,26,27,28,29)
InChIKeyGUTPGKZLHKURGD-UHFFFAOYSA-N
MW461.49 g/mol
LogP4.27
Rot. Bonds7

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

N-[7-(4-cyclopropyl-2-methylsulfonylanilino)-2-(difluoromethyl)-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide (PubChem CID 134455417) has the molecular formula C21H21F2N5O3S and a molecular weight of 461.49 g/mol. Its IUPAC name is N-[7-(4-cyclopropyl-2-methylsulfonylanilino)-2-(difluoromethyl)-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[7-(4-cyclopropyl-2-methylsulfonylanilino)-2-(difluoromethyl)-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
PubChem CID134455417
Molecular FormulaC21H21F2N5O3S
Molecular Weight461.49 g/mol
Exact Mass461.13
IUPAC NameN-[7-(4-cyclopropyl-2-methylsulfonylanilino)-2-(difluoromethyl)-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
SMILESCS(=O)(=O)c1cc(C2CC2)ccc1Nc1cc(NC(=O)C2CC2)nc2nc(C(F)F)[nH]c12
InChIInChI=1S/C21H21F2N5O3S/c1-32(30,31)15-8-12(10-2-3-10)6-7-13(15)24-14-9-16(26-21(29)11-4-5-11)25-19-17(14)27-20(28-19)18(22)23/h6-11,18H,2-5H2,1H3,(H3,24,25,26,27,28,29)
InChIKeyGUTPGKZLHKURGD-UHFFFAOYSA-N
XLogP4.27
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.49
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(1R,2R)-N-[2-(difluoromethyl)-7-[4-(1,4-dimethylpyrazol-3-yl)-2-methylsulfonylanilino]-1H-imidazo[4,5-b]pyridin-5-yl]-2-fluorocyclopropane-1-carboxamide
CID 134455293
(1S,2S)-N-[2-(difluoromethyl)-7-[4-(1,4-dimethylpyrazol-3-yl)-2-methylsulfonylanilino]-1H-imidazo[4,5-b]pyridin-5-yl]-2-fluorocyclopropane-1-carboxamide
CID 134455294
(1R,2R)-N-[2-(difluoromethyl)-7-[4-(3-methylimidazol-4-yl)-2-methylsulfonylanilino]-1H-imidazo[4,5-b]pyridin-5-yl]-2-fluorocyclopropane-1-carboxamide
CID 134455295
(1S)-2,2-difluoro-N-[2-methyl-7-[2-methylsulfonyl-4-[(2R)-oxolan-2-yl]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropane-1-carboxamide
CID 134455303
2,2-difluoro-N-[2-methyl-7-[4-(3-methylimidazol-4-yl)-2-methylsulfonylanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropane-1-carboxamide
CID 134455313
N-[2-(difluoromethyl)-7-[2-methylsulfonyl-4-(oxolan-3-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
CID 134455325
N-[2-(difluoromethyl)-7-[2-methylsulfonyl-4-(oxan-3-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
CID 134455329
(1S)-N-[2-(difluoromethyl)-7-[2-methylsulfonyl-4-[(2R)-oxan-2-yl]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]-2,2-difluorocyclopropane-1-carboxamide
CID 134455345
N-[2-(difluoromethyl)-7-[4-(1,4-dimethylpyrazol-3-yl)-2-methylsulfonylanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
CID 134455390
(1R)-N-[2-(difluoromethyl)-7-[4-(1-methylimidazol-4-yl)-2-methylsulfonylanilino]-1H-imidazo[4,5-b]pyridin-5-yl]-2,2-difluorocyclopropane-1-carboxamide
CID 134455391
N-[2-(difluoromethyl)-7-[4-(1-methylpyrazol-3-yl)-2-methylsulfonylanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
CID 134455392
N-[2-(difluoromethyl)-7-[2-methylsulfonyl-4-(5-methyl-1,3-thiazol-2-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
CID 134455415

Frequently Asked Questions

What is the IUPAC name of N-[7-(4-cyclopropyl-2-methylsulfonylanilino)-2-(difluoromethyl)-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide?
The IUPAC name of N-[7-(4-cyclopropyl-2-methylsulfonylanilino)-2-(difluoromethyl)-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide (CID 134455417) is N-[7-(4-cyclopropyl-2-methylsulfonylanilino)-2-(difluoromethyl)-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[7-(4-cyclopropyl-2-methylsulfonylanilino)-2-(difluoromethyl)-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[7-(4-cyclopropyl-2-methylsulfonylanilino)-2-(difluoromethyl)-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide is CS(=O)(=O)c1cc(C2CC2)ccc1Nc1cc(NC(=O)C2CC2)nc2nc(C(F)F)[nH]c12.
What is the InChIKey of N-[7-(4-cyclopropyl-2-methylsulfonylanilino)-2-(difluoromethyl)-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide?
The InChIKey is GUTPGKZLHKURGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N5O3S/c1-32(30,31)15-8-12(10-2-3-10)6-7-13(15)24-14-9-16(26-21(29)11-4-5-11)25-19-17(14)27-20(28-19)18(22)23/h6-11,18H,2-5H2,1H3,(H3,24,25,26,27,28,29).
What are the key properties of N-[7-(4-cyclopropyl-2-methylsulfonylanilino)-2-(difluoromethyl)-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide?
N-[7-(4-cyclopropyl-2-methylsulfonylanilino)-2-(difluoromethyl)-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide has a molecular weight of 461.49 g/mol, XLogP of 4.27, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(4-cyclopropyl-2-methylsulfonylanilino)-2-(difluoromethyl)-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide is sourced from PubChem (CID 134455417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).