N-[2-methyl-7-[2-methylsulfanyl-4-(trifluoromethyl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide

C19H18F3N5OS — CID 142334549

IUPACN-[2-methyl-7-[2-methylsulfanyl-4-(trifluoromethyl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
SMILESCSc1cc(C(F)(F)F)ccc1Nc1cc(NC(=O)C2CC2)nc2nc(C)[nH]c12
InChIInChI=1S/C19H18F3N5OS/c1-9-23-16-13(8-15(26-17(16)24-9)27-18(28)10-3-4-10)25-12-6-5-11(19(20,21)22)7-14(12)29-2/h5-8,10H,3-4H2,1-2H3,(H3,23,24,25,26,27,28)
InChIKeyHQHCTPZFGYFSTC-UHFFFAOYSA-N
MW421.45 g/mol
LogP5.10
Rot. Bonds5

About N-[2-methyl-7-[2-methylsulfanyl-4-(trifluoromethyl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide

N-[2-methyl-7-[2-methylsulfanyl-4-(trifluoromethyl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide (PubChem CID 142334549) has the molecular formula C19H18F3N5OS and a molecular weight of 421.45 g/mol. Its IUPAC name is N-[2-methyl-7-[2-methylsulfanyl-4-(trifluoromethyl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-methyl-7-[2-methylsulfanyl-4-(trifluoromethyl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
PubChem CID142334549
Molecular FormulaC19H18F3N5OS
Molecular Weight421.45 g/mol
Exact Mass421.12
IUPAC NameN-[2-methyl-7-[2-methylsulfanyl-4-(trifluoromethyl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
SMILESCSc1cc(C(F)(F)F)ccc1Nc1cc(NC(=O)C2CC2)nc2nc(C)[nH]c12
InChIInChI=1S/C19H18F3N5OS/c1-9-23-16-13(8-15(26-17(16)24-9)27-18(28)10-3-4-10)25-12-6-5-11(19(20,21)22)7-14(12)29-2/h5-8,10H,3-4H2,1-2H3,(H3,23,24,25,26,27,28)
InChIKeyHQHCTPZFGYFSTC-UHFFFAOYSA-N
XLogP5.10
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.45
LogP ≤ 55.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[7-(2-dimethylphosphorylanilino)-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
CID 134455389
N-[2-(difluoromethyl)-7-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfanylanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide;methanamine
CID 142335158
N-[7-[4-(1-methoxyethyl)-2-methylsulfonylanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
CID 134456014
N-[7-[2-methoxy-4-(pyrrolidine-1-carbonyl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
CID 134455289
N-[7-[4-(3,5-dimethylfuran-2-yl)-2-methylsulfonylanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
CID 134456677
N-[7-[3-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-methoxyanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
CID 134455883
N-[7-[2-(ethylsulfonylamino)-4-(3-methylimidazol-4-yl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
CID 134495675
N-[2-methyl-7-[4-(3-methylimidazol-4-yl)-2-[methyl(methylsulfonyl)amino]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
CID 134455410
N-[7-[3-(1,5-dimethyltriazol-4-yl)-2-methoxyanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
CID 134455369
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-[7-(4-cyclopropyl-2-dimethylphosphorylanilino)-2-(difluoromethyl)-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
CID 134455781
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

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-7-[2-methylsulfanyl-4-(trifluoromethyl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide?
The IUPAC name of N-[2-methyl-7-[2-methylsulfanyl-4-(trifluoromethyl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide (CID 142334549) is N-[2-methyl-7-[2-methylsulfanyl-4-(trifluoromethyl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-methyl-7-[2-methylsulfanyl-4-(trifluoromethyl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-methyl-7-[2-methylsulfanyl-4-(trifluoromethyl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide is CSc1cc(C(F)(F)F)ccc1Nc1cc(NC(=O)C2CC2)nc2nc(C)[nH]c12.
What is the InChIKey of N-[2-methyl-7-[2-methylsulfanyl-4-(trifluoromethyl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide?
The InChIKey is HQHCTPZFGYFSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N5OS/c1-9-23-16-13(8-15(26-17(16)24-9)27-18(28)10-3-4-10)25-12-6-5-11(19(20,21)22)7-14(12)29-2/h5-8,10H,3-4H2,1-2H3,(H3,23,24,25,26,27,28).
What are the key properties of N-[2-methyl-7-[2-methylsulfanyl-4-(trifluoromethyl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide?
N-[2-methyl-7-[2-methylsulfanyl-4-(trifluoromethyl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide has a molecular weight of 421.45 g/mol, XLogP of 5.10, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-7-[2-methylsulfanyl-4-(trifluoromethyl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide is sourced from PubChem (CID 142334549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).