N-[2-methyl-7-[2-methylsulfonyl-4-(trifluoromethyl)anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide

C24H26F3N5O4S — CID 134456687

IUPACN-[2-methyl-7-[2-methylsulfonyl-4-(trifluoromethyl)anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
SMILESCc1nc2c(Nc3ccc(C(F)(F)F)cc3S(C)(=O)=O)cc(NC(=O)C3CC3)nc2n1C1CCCCO1
InChIInChI=1S/C24H26F3N5O4S/c1-13-28-21-17(29-16-9-8-15(24(25,26)27)11-18(16)37(2,34)35)12-19(31-23(33)14-6-7-14)30-22(21)32(13)20-5-3-4-10-36-20/h8-9,11-12,14,20H,3-7,10H2,1-2H3,(H2,29,30,31,33)
InChIKeyJWZTVJPRFYYCAP-UHFFFAOYSA-N
MW537.56 g/mol
LogP4.95
Rot. Bonds6

About N-[2-methyl-7-[2-methylsulfonyl-4-(trifluoromethyl)anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide

N-[2-methyl-7-[2-methylsulfonyl-4-(trifluoromethyl)anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide (PubChem CID 134456687) has the molecular formula C24H26F3N5O4S and a molecular weight of 537.56 g/mol. Its IUPAC name is N-[2-methyl-7-[2-methylsulfonyl-4-(trifluoromethyl)anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-methyl-7-[2-methylsulfonyl-4-(trifluoromethyl)anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
PubChem CID134456687
Molecular FormulaC24H26F3N5O4S
Molecular Weight537.56 g/mol
Exact Mass537.17
IUPAC NameN-[2-methyl-7-[2-methylsulfonyl-4-(trifluoromethyl)anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
SMILESCc1nc2c(Nc3ccc(C(F)(F)F)cc3S(C)(=O)=O)cc(NC(=O)C3CC3)nc2n1C1CCCCO1
InChIInChI=1S/C24H26F3N5O4S/c1-13-28-21-17(29-16-9-8-15(24(25,26)27)11-18(16)37(2,34)35)12-19(31-23(33)14-6-7-14)30-22(21)32(13)20-5-3-4-10-36-20/h8-9,11-12,14,20H,3-7,10H2,1-2H3,(H2,29,30,31,33)
InChIKeyJWZTVJPRFYYCAP-UHFFFAOYSA-N
XLogP4.95
TPSA115.21 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.56
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-methyl-7-[2-methylsulfonyl-4-[(2R)-oxolan-2-yl]anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
CID 134456058
2,2-difluoro-N-[2-methyl-7-[2-methylsulfonyl-4-[(2R)-oxolan-2-yl]anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]cyclopropane-1-carboxamide
CID 134455935
cis-(1S,2S)-2-fluoro-N-[2-methyl-7-[4-(1-methylimidazol-4-yl)-2-methylsulfonylanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]cyclopropane-1-carboxamide
CID 134512815
N-[2-(difluoromethyl)-7-[2-methylsulfonyl-4-(oxan-4-yl)anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
CID 134455753
N-[2-(difluoromethyl)-7-[2-methylsulfonyl-4-(4-methyl-1,3-thiazol-2-yl)anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
CID 134456671
5-N-(2,6-dimethylpyrimidin-4-yl)-2-methyl-7-N-[2-methylsulfonyl-4-(oxan-2-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridine-5,7-diamine
CID 134456748
N-[2-methyl-7-[2-[methyl(methylsulfonyl)amino]-4-(oxan-4-yl)anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
CID 134456685
5-N-(6-ethynyl-2-pyridinyl)-7-N-(4-fluoro-2-methylsulfonylphenyl)-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine-5,7-diamine
CID 134456675
3-[[5-(cyclopropanecarbonylamino)-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-2-methoxybenzoic acid
CID 134456576
N-[7-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methoxyanilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
CID 134456311
N-[7-[4-(1,4-dimethylpyrazol-3-yl)-3-fluoro-2-methoxyanilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
CID 134456214
N-[7-[3-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-methoxyanilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
CID 134455882

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-7-[2-methylsulfonyl-4-(trifluoromethyl)anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide?
The IUPAC name of N-[2-methyl-7-[2-methylsulfonyl-4-(trifluoromethyl)anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide (CID 134456687) is N-[2-methyl-7-[2-methylsulfonyl-4-(trifluoromethyl)anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-methyl-7-[2-methylsulfonyl-4-(trifluoromethyl)anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-methyl-7-[2-methylsulfonyl-4-(trifluoromethyl)anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide is Cc1nc2c(Nc3ccc(C(F)(F)F)cc3S(C)(=O)=O)cc(NC(=O)C3CC3)nc2n1C1CCCCO1.
What is the InChIKey of N-[2-methyl-7-[2-methylsulfonyl-4-(trifluoromethyl)anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide?
The InChIKey is JWZTVJPRFYYCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N5O4S/c1-13-28-21-17(29-16-9-8-15(24(25,26)27)11-18(16)37(2,34)35)12-19(31-23(33)14-6-7-14)30-22(21)32(13)20-5-3-4-10-36-20/h8-9,11-12,14,20H,3-7,10H2,1-2H3,(H2,29,30,31,33).
What are the key properties of N-[2-methyl-7-[2-methylsulfonyl-4-(trifluoromethyl)anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide?
N-[2-methyl-7-[2-methylsulfonyl-4-(trifluoromethyl)anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide has a molecular weight of 537.56 g/mol, XLogP of 4.95, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-7-[2-methylsulfonyl-4-(trifluoromethyl)anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide is sourced from PubChem (CID 134456687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).