N-[2-(difluoromethyl)-7-[2-[methyl(methylsulfonyl)amino]-4-(4-methylpyrazol-1-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide

C23H24F2N8O3S — CID 134455370

IUPACN-[2-(difluoromethyl)-7-[2-[methyl(methylsulfonyl)amino]-4-(4-methylpyrazol-1-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
SMILESCc1cnn(-c2ccc(Nc3cc(NC(=O)C4CC4)nc4nc(C(F)F)[nH]c34)c(N(C)S(C)(=O)=O)c2)c1
InChIInChI=1S/C23H24F2N8O3S/c1-12-10-26-33(11-12)14-6-7-15(17(8-14)32(2)37(3,35)36)27-16-9-18(29-23(34)13-4-5-13)28-21-19(16)30-22(31-21)20(24)25/h6-11,13,20H,4-5H2,1-3H3,(H3,27,28,29,30,31,34)
InChIKeySWUVCLOUIWKRTE-UHFFFAOYSA-N
MW530.56 g/mol
LogP3.88
Rot. Bonds8

About N-[2-(difluoromethyl)-7-[2-[methyl(methylsulfonyl)amino]-4-(4-methylpyrazol-1-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide

N-[2-(difluoromethyl)-7-[2-[methyl(methylsulfonyl)amino]-4-(4-methylpyrazol-1-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide (PubChem CID 134455370) has the molecular formula C23H24F2N8O3S and a molecular weight of 530.56 g/mol. Its IUPAC name is N-[2-(difluoromethyl)-7-[2-[methyl(methylsulfonyl)amino]-4-(4-methylpyrazol-1-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(difluoromethyl)-7-[2-[methyl(methylsulfonyl)amino]-4-(4-methylpyrazol-1-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
PubChem CID134455370
Molecular FormulaC23H24F2N8O3S
Molecular Weight530.56 g/mol
Exact Mass530.17
IUPAC NameN-[2-(difluoromethyl)-7-[2-[methyl(methylsulfonyl)amino]-4-(4-methylpyrazol-1-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
SMILESCc1cnn(-c2ccc(Nc3cc(NC(=O)C4CC4)nc4nc(C(F)F)[nH]c34)c(N(C)S(C)(=O)=O)c2)c1
InChIInChI=1S/C23H24F2N8O3S/c1-12-10-26-33(11-12)14-6-7-15(17(8-14)32(2)37(3,35)36)27-16-9-18(29-23(34)13-4-5-13)28-21-19(16)30-22(31-21)20(24)25/h6-11,13,20H,4-5H2,1-3H3,(H3,27,28,29,30,31,34)
InChIKeySWUVCLOUIWKRTE-UHFFFAOYSA-N
XLogP3.88
TPSA137.90 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.56
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethyl)-7-[2-[methyl(methylsulfonyl)amino]-4-(4-methylpyrazol-1-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(difluoromethyl)-7-[2-[methyl(methylsulfonyl)amino]-4-(4-methylpyrazol-1-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide (CID 134455370) is N-[2-(difluoromethyl)-7-[2-[methyl(methylsulfonyl)amino]-4-(4-methylpyrazol-1-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(difluoromethyl)-7-[2-[methyl(methylsulfonyl)amino]-4-(4-methylpyrazol-1-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(difluoromethyl)-7-[2-[methyl(methylsulfonyl)amino]-4-(4-methylpyrazol-1-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide is Cc1cnn(-c2ccc(Nc3cc(NC(=O)C4CC4)nc4nc(C(F)F)[nH]c34)c(N(C)S(C)(=O)=O)c2)c1.
What is the InChIKey of N-[2-(difluoromethyl)-7-[2-[methyl(methylsulfonyl)amino]-4-(4-methylpyrazol-1-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide?
The InChIKey is SWUVCLOUIWKRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N8O3S/c1-12-10-26-33(11-12)14-6-7-15(17(8-14)32(2)37(3,35)36)27-16-9-18(29-23(34)13-4-5-13)28-21-19(16)30-22(31-21)20(24)25/h6-11,13,20H,4-5H2,1-3H3,(H3,27,28,29,30,31,34).
What are the key properties of N-[2-(difluoromethyl)-7-[2-[methyl(methylsulfonyl)amino]-4-(4-methylpyrazol-1-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide?
N-[2-(difluoromethyl)-7-[2-[methyl(methylsulfonyl)amino]-4-(4-methylpyrazol-1-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide has a molecular weight of 530.56 g/mol, XLogP of 3.88, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethyl)-7-[2-[methyl(methylsulfonyl)amino]-4-(4-methylpyrazol-1-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide is sourced from PubChem (CID 134455370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).