6-(difluoromethyl)-3-[[2-(1-ethyl-3-methylpyrazol-4-yl)quinoline-4-carbonyl]amino]-4-methylthieno[2,3-b]pyridine-2-carboxamide

C26H22F2N6O2S — CID 19511542

IUPAC6-(difluoromethyl)-3-[[2-(1-ethyl-3-methylpyrazol-4-yl)quinoline-4-carbonyl]amino]-4-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCCn1cc(-c2cc(C(=O)Nc3c(C(N)=O)sc4nc(C(F)F)cc(C)c34)c3ccccc3n2)c(C)n1
InChIInChI=1S/C26H22F2N6O2S/c1-4-34-11-16(13(3)33-34)18-10-15(14-7-5-6-8-17(14)30-18)25(36)32-21-20-12(2)9-19(23(27)28)31-26(20)37-22(21)24(29)35/h5-11,23H,4H2,1-3H3,(H2,29,35)(H,32,36)
InChIKeyBFRPJKYAGWSQAW-UHFFFAOYSA-N
MW520.57 g/mol
LogP5.63
Rot. Bonds6

About 6-(difluoromethyl)-3-[[2-(1-ethyl-3-methylpyrazol-4-yl)quinoline-4-carbonyl]amino]-4-methylthieno[2,3-b]pyridine-2-carboxamide

6-(difluoromethyl)-3-[[2-(1-ethyl-3-methylpyrazol-4-yl)quinoline-4-carbonyl]amino]-4-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 19511542) has the molecular formula C26H22F2N6O2S and a molecular weight of 520.57 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-[[2-(1-ethyl-3-methylpyrazol-4-yl)quinoline-4-carbonyl]amino]-4-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(difluoromethyl)-3-[[2-(1-ethyl-3-methylpyrazol-4-yl)quinoline-4-carbonyl]amino]-4-methylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID19511542
Molecular FormulaC26H22F2N6O2S
Molecular Weight520.57 g/mol
Exact Mass520.15
IUPAC Name6-(difluoromethyl)-3-[[2-(1-ethyl-3-methylpyrazol-4-yl)quinoline-4-carbonyl]amino]-4-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCCn1cc(-c2cc(C(=O)Nc3c(C(N)=O)sc4nc(C(F)F)cc(C)c34)c3ccccc3n2)c(C)n1
InChIInChI=1S/C26H22F2N6O2S/c1-4-34-11-16(13(3)33-34)18-10-15(14-7-5-6-8-17(14)30-18)25(36)32-21-20-12(2)9-19(23(27)28)31-26(20)37-22(21)24(29)35/h5-11,23H,4H2,1-3H3,(H2,29,35)(H,32,36)
InChIKeyBFRPJKYAGWSQAW-UHFFFAOYSA-N
XLogP5.63
TPSA115.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.57
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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
6-(difluoromethyl)-4-(1-ethyl-3-methylpyrazol-4-yl)-3-[[2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide
CID 19512298
6-(difluoromethyl)-4-(1,5-dimethylpyrazol-4-yl)-3-[[2-(1-ethylpyrazol-4-yl)quinoline-4-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide
CID 19518802
6-(difluoromethyl)-3-[[2-(1-ethylpyrazol-4-yl)quinoline-4-carbonyl]amino]-4-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 19518801
3-[[2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carbonyl]amino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19511845
6-(difluoromethyl)-3-[(1,3-diphenylpyrazole-4-carbonyl)amino]-4-(1-ethyl-3-methylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 19281473
6-(difluoromethyl)-3-[(1-ethylpyrazole-4-carbonyl)amino]-4-methylthieno[2,3-b]pyridine-2-carboxamide
CID 19281073
6-(difluoromethyl)-3-[[7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 19416475
3-[[2-(1-ethylpyrazol-4-yl)quinoline-4-carbonyl]amino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19518740
6-(difluoromethyl)-3-[(2,5-dimethylpyrazole-3-carbonyl)amino]-4-(1-ethyl-3-methylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 19481477
6-(difluoromethyl)-3-[[7-(difluoromethyl)-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-4-(1-ethyl-3-methylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 19460125
6-(difluoromethyl)-3-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-4-(1-ethyl-3-methylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 19440844

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-3-[[2-(1-ethyl-3-methylpyrazol-4-yl)quinoline-4-carbonyl]amino]-4-methylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 6-(difluoromethyl)-3-[[2-(1-ethyl-3-methylpyrazol-4-yl)quinoline-4-carbonyl]amino]-4-methylthieno[2,3-b]pyridine-2-carboxamide (CID 19511542) is 6-(difluoromethyl)-3-[[2-(1-ethyl-3-methylpyrazol-4-yl)quinoline-4-carbonyl]amino]-4-methylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 6-(difluoromethyl)-3-[[2-(1-ethyl-3-methylpyrazol-4-yl)quinoline-4-carbonyl]amino]-4-methylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 6-(difluoromethyl)-3-[[2-(1-ethyl-3-methylpyrazol-4-yl)quinoline-4-carbonyl]amino]-4-methylthieno[2,3-b]pyridine-2-carboxamide is CCn1cc(-c2cc(C(=O)Nc3c(C(N)=O)sc4nc(C(F)F)cc(C)c34)c3ccccc3n2)c(C)n1.
What is the InChIKey of 6-(difluoromethyl)-3-[[2-(1-ethyl-3-methylpyrazol-4-yl)quinoline-4-carbonyl]amino]-4-methylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is BFRPJKYAGWSQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F2N6O2S/c1-4-34-11-16(13(3)33-34)18-10-15(14-7-5-6-8-17(14)30-18)25(36)32-21-20-12(2)9-19(23(27)28)31-26(20)37-22(21)24(29)35/h5-11,23H,4H2,1-3H3,(H2,29,35)(H,32,36).
What are the key properties of 6-(difluoromethyl)-3-[[2-(1-ethyl-3-methylpyrazol-4-yl)quinoline-4-carbonyl]amino]-4-methylthieno[2,3-b]pyridine-2-carboxamide?
6-(difluoromethyl)-3-[[2-(1-ethyl-3-methylpyrazol-4-yl)quinoline-4-carbonyl]amino]-4-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 520.57 g/mol, XLogP of 5.63, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-3-[[2-(1-ethyl-3-methylpyrazol-4-yl)quinoline-4-carbonyl]amino]-4-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 19511542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).