N-[2-(difluoromethyl)-7-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfanylanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide;methanamine

C24H28F2N8OS — CID 142335158

IUPACN-[2-(difluoromethyl)-7-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfanylanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide;methanamine
SMILESCN.CSc1cc(-c2cnn(C)c2C)ccc1Nc1cc(NC(=O)C2CC2)nc2nc(C(F)F)[nH]c12
InChIInChI=1S/C23H23F2N7OS.CH5N/c1-11-14(10-26-32(11)2)13-6-7-15(17(8-13)34-3)27-16-9-18(29-23(33)12-4-5-12)28-21-19(16)30-22(31-21)20(24)25;1-2/h6-10,12,20H,4-5H2,1-3H3,(H3,27,28,29,30,31,33);2H2,1H3
InChIKeyNKXPXQRSIVWYBY-UHFFFAOYSA-N
MW514.61 g/mol
LogP4.99
Rot. Bonds7

About N-[2-(difluoromethyl)-7-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfanylanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide;methanamine

N-[2-(difluoromethyl)-7-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfanylanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide;methanamine (PubChem CID 142335158) has the molecular formula C24H28F2N8OS and a molecular weight of 514.61 g/mol. Its IUPAC name is N-[2-(difluoromethyl)-7-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfanylanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide;methanamine.

Molecular Properties

Compound NameN-[2-(difluoromethyl)-7-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfanylanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide;methanamine
PubChem CID142335158
Molecular FormulaC24H28F2N8OS
Molecular Weight514.61 g/mol
Exact Mass514.21
IUPAC NameN-[2-(difluoromethyl)-7-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfanylanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide;methanamine
SMILESCN.CSc1cc(-c2cnn(C)c2C)ccc1Nc1cc(NC(=O)C2CC2)nc2nc(C(F)F)[nH]c12
InChIInChI=1S/C23H23F2N7OS.CH5N/c1-11-14(10-26-32(11)2)13-6-7-15(17(8-13)34-3)27-16-9-18(29-23(33)12-4-5-12)28-21-19(16)30-22(31-21)20(24)25;1-2/h6-10,12,20H,4-5H2,1-3H3,(H3,27,28,29,30,31,33);2H2,1H3
InChIKeyNKXPXQRSIVWYBY-UHFFFAOYSA-N
XLogP4.99
TPSA126.54 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.61
LogP ≤ 54.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-(difluoromethyl)-7-[4-(1,5-dimethylpyrazol-4-yl)-2-[methyl(methylsulfanyl)amino]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide;ethane
CID 142335087
N-[2-(difluoromethyl)-7-[4-(1,5-dimethylpyrazol-4-yl)-2-(N,S-dimethylsulfonimidoyl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
CID 142334432
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-(difluoromethyl)-7-[4-(1,5-dimethylpyrazol-3-yl)-3-fluoro-2-methoxyanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
CID 134456377
N-[2-(difluoromethyl)-7-[4-(1,5-dimethylpyrazol-3-yl)-2-(ethylsulfonylamino)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
CID 134495636
N-[2-methyl-7-[2-methylsulfanyl-4-(trifluoromethyl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
CID 142334549
N-[2-(difluoromethyl)-7-[2-[methyl(methylsulfonyl)amino]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
CID 134512758
N-[7-(4-cyclopropyl-2-dimethylphosphorylanilino)-2-(difluoromethyl)-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
CID 134455781
5-chloro-2-[[5-(cyclopropanecarbonylamino)-2-(difluoromethyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]benzenesulfinic acid
CID 163814155
N-[7-(4-cyclobutyl-2-dimethylphosphanylanilino)-2-(difluoromethyl)-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide;ethane
CID 142334720
N-[2-(difluoromethyl)-7-[4-(3-methylpyrazol-1-yl)-2-methylsulfonylanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
CID 134455711
N-[2-(difluoromethyl)-7-[2-methylsulfanyl-4-(oxan-3-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]-2-fluoro-2-methylcyclopropane-1-carboxamide
CID 142334061

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethyl)-7-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfanylanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide;methanamine?
The IUPAC name of N-[2-(difluoromethyl)-7-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfanylanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide;methanamine (CID 142335158) is N-[2-(difluoromethyl)-7-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfanylanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide;methanamine.
What is the SMILES notation for N-[2-(difluoromethyl)-7-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfanylanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide;methanamine?
The canonical SMILES for N-[2-(difluoromethyl)-7-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfanylanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide;methanamine is CN.CSc1cc(-c2cnn(C)c2C)ccc1Nc1cc(NC(=O)C2CC2)nc2nc(C(F)F)[nH]c12.
What is the InChIKey of N-[2-(difluoromethyl)-7-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfanylanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide;methanamine?
The InChIKey is NKXPXQRSIVWYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N7OS.CH5N/c1-11-14(10-26-32(11)2)13-6-7-15(17(8-13)34-3)27-16-9-18(29-23(33)12-4-5-12)28-21-19(16)30-22(31-21)20(24)25;1-2/h6-10,12,20H,4-5H2,1-3H3,(H3,27,28,29,30,31,33);2H2,1H3.
What are the key properties of N-[2-(difluoromethyl)-7-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfanylanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide;methanamine?
N-[2-(difluoromethyl)-7-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfanylanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide;methanamine has a molecular weight of 514.61 g/mol, XLogP of 4.99, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethyl)-7-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfanylanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide;methanamine is sourced from PubChem (CID 142335158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).