N-[2-(difluoromethyl)-7-[2-(N,S-dimethylsulfonimidoyl)-4-(1-methylpyrazol-3-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide

C23H24F2N8O2S — CID 134455449

IUPACN-[2-(difluoromethyl)-7-[2-(N,S-dimethylsulfonimidoyl)-4-(1-methylpyrazol-3-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
SMILESCN=S(C)(=O)c1cc(-c2ccn(C)n2)ccc1Nc1cc(NC(=O)C2CC2)nc2nc(C(F)F)[nH]c12
InChIInChI=1S/C23H24F2N8O2S/c1-26-36(3,35)17-10-13(14-8-9-33(2)32-14)6-7-15(17)27-16-11-18(29-23(34)12-4-5-12)28-21-19(16)30-22(31-21)20(24)25/h6-12,20H,4-5H2,1-3H3,(H3,27,28,29,30,31,34)
InChIKeyJZIKGKWCTFFPBF-UHFFFAOYSA-N
MW514.56 g/mol
LogP4.47
Rot. Bonds7

About N-[2-(difluoromethyl)-7-[2-(N,S-dimethylsulfonimidoyl)-4-(1-methylpyrazol-3-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide

N-[2-(difluoromethyl)-7-[2-(N,S-dimethylsulfonimidoyl)-4-(1-methylpyrazol-3-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide (PubChem CID 134455449) has the molecular formula C23H24F2N8O2S and a molecular weight of 514.56 g/mol. Its IUPAC name is N-[2-(difluoromethyl)-7-[2-(N,S-dimethylsulfonimidoyl)-4-(1-methylpyrazol-3-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(difluoromethyl)-7-[2-(N,S-dimethylsulfonimidoyl)-4-(1-methylpyrazol-3-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
PubChem CID134455449
Molecular FormulaC23H24F2N8O2S
Molecular Weight514.56 g/mol
Exact Mass514.17
IUPAC NameN-[2-(difluoromethyl)-7-[2-(N,S-dimethylsulfonimidoyl)-4-(1-methylpyrazol-3-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
SMILESCN=S(C)(=O)c1cc(-c2ccn(C)n2)ccc1Nc1cc(NC(=O)C2CC2)nc2nc(C(F)F)[nH]c12
InChIInChI=1S/C23H24F2N8O2S/c1-26-36(3,35)17-10-13(14-8-9-33(2)32-14)6-7-15(17)27-16-11-18(29-23(34)12-4-5-12)28-21-19(16)30-22(31-21)20(24)25/h6-12,20H,4-5H2,1-3H3,(H3,27,28,29,30,31,34)
InChIKeyJZIKGKWCTFFPBF-UHFFFAOYSA-N
XLogP4.47
TPSA129.95 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.56
LogP ≤ 54.47
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-(N,S-dimethylsulfonimidoyl)-4-(1-methylpyrazol-3-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(difluoromethyl)-7-[2-(N,S-dimethylsulfonimidoyl)-4-(1-methylpyrazol-3-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide (CID 134455449) is N-[2-(difluoromethyl)-7-[2-(N,S-dimethylsulfonimidoyl)-4-(1-methylpyrazol-3-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(difluoromethyl)-7-[2-(N,S-dimethylsulfonimidoyl)-4-(1-methylpyrazol-3-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(difluoromethyl)-7-[2-(N,S-dimethylsulfonimidoyl)-4-(1-methylpyrazol-3-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide is CN=S(C)(=O)c1cc(-c2ccn(C)n2)ccc1Nc1cc(NC(=O)C2CC2)nc2nc(C(F)F)[nH]c12.
What is the InChIKey of N-[2-(difluoromethyl)-7-[2-(N,S-dimethylsulfonimidoyl)-4-(1-methylpyrazol-3-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide?
The InChIKey is JZIKGKWCTFFPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N8O2S/c1-26-36(3,35)17-10-13(14-8-9-33(2)32-14)6-7-15(17)27-16-11-18(29-23(34)12-4-5-12)28-21-19(16)30-22(31-21)20(24)25/h6-12,20H,4-5H2,1-3H3,(H3,27,28,29,30,31,34).
What are the key properties of N-[2-(difluoromethyl)-7-[2-(N,S-dimethylsulfonimidoyl)-4-(1-methylpyrazol-3-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide?
N-[2-(difluoromethyl)-7-[2-(N,S-dimethylsulfonimidoyl)-4-(1-methylpyrazol-3-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide has a molecular weight of 514.56 g/mol, XLogP of 4.47, 7 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-(N,S-dimethylsulfonimidoyl)-4-(1-methylpyrazol-3-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide is sourced from PubChem (CID 134455449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).