3-[[2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carbonyl]amino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

C25H19F3N6O2S — CID 19511845

IUPAC3-[[2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carbonyl]amino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1nn(C)cc1-c1cc(C(=O)Nc2c(C(N)=O)sc3nc(C(F)(F)F)cc(C)c23)c2ccccc2n1
InChIInChI=1S/C25H19F3N6O2S/c1-11-8-18(25(26,27)28)31-24-19(11)20(21(37-24)22(29)35)32-23(36)14-9-17(15-10-34(3)33-12(15)2)30-16-7-5-4-6-13(14)16/h4-10H,1-3H3,(H2,29,35)(H,32,36)
InChIKeyKBYKPGVWLFYZAN-UHFFFAOYSA-N
MW524.53 g/mol
LogP5.23
Rot. Bonds4

About 3-[[2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carbonyl]amino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

3-[[2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carbonyl]amino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 19511845) has the molecular formula C25H19F3N6O2S and a molecular weight of 524.53 g/mol. Its IUPAC name is 3-[[2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carbonyl]amino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-[[2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carbonyl]amino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID19511845
Molecular FormulaC25H19F3N6O2S
Molecular Weight524.53 g/mol
Exact Mass524.12
IUPAC Name3-[[2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carbonyl]amino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1nn(C)cc1-c1cc(C(=O)Nc2c(C(N)=O)sc3nc(C(F)(F)F)cc(C)c23)c2ccccc2n1
InChIInChI=1S/C25H19F3N6O2S/c1-11-8-18(25(26,27)28)31-24-19(11)20(21(37-24)22(29)35)32-23(36)14-9-17(15-10-34(3)33-12(15)2)30-16-7-5-4-6-13(14)16/h4-10H,1-3H3,(H2,29,35)(H,32,36)
InChIKeyKBYKPGVWLFYZAN-UHFFFAOYSA-N
XLogP5.23
TPSA115.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.53
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-methyl-6-(trifluoromethyl)-3-[[2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide
CID 19512760
6-(difluoromethyl)-3-[[2-(1-ethyl-3-methylpyrazol-4-yl)quinoline-4-carbonyl]amino]-4-methylthieno[2,3-b]pyridine-2-carboxamide
CID 19511542
4-(furan-2-yl)-3-[[2-(1-methylpyrazol-4-yl)quinoline-4-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19518458
3-[[2-(1-ethylpyrazol-4-yl)quinoline-4-carbonyl]amino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19518740
3-[[2-(1-ethylpyrazol-4-yl)quinoline-4-carbonyl]amino]-4-(4-fluorophenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19518754
4-methyl-3-[[5-naphthalen-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19460283
N-(2,6-dichlorophenyl)-2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19511727
4-methyl-6-(trifluoromethyl)-3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide
CID 19281625
4-cyclopropyl-6-(difluoromethyl)-3-[[2-(1-ethyl-3-methylpyrazol-4-yl)quinoline-4-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide
CID 19511602
N-(4-acetamidophenyl)-2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19511719
4-methyl-3-[[1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19267686
3-[(1-ethyl-5-methylpyrazole-4-carbonyl)amino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19280793

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carbonyl]amino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-[[2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carbonyl]amino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (CID 19511845) is 3-[[2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carbonyl]amino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-[[2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carbonyl]amino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-[[2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carbonyl]amino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is Cc1nn(C)cc1-c1cc(C(=O)Nc2c(C(N)=O)sc3nc(C(F)(F)F)cc(C)c23)c2ccccc2n1.
What is the InChIKey of 3-[[2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carbonyl]amino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is KBYKPGVWLFYZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3N6O2S/c1-11-8-18(25(26,27)28)31-24-19(11)20(21(37-24)22(29)35)32-23(36)14-9-17(15-10-34(3)33-12(15)2)30-16-7-5-4-6-13(14)16/h4-10H,1-3H3,(H2,29,35)(H,32,36).
What are the key properties of 3-[[2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carbonyl]amino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
3-[[2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carbonyl]amino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 524.53 g/mol, XLogP of 5.23, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carbonyl]amino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 19511845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).