4-methyl-6-(trifluoromethyl)-3-[[2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide

C26H21F3N6O2S — CID 19512760

IUPAC4-methyl-6-(trifluoromethyl)-3-[[2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1nn(C)c(C)c1-c1cc(C(=O)Nc2c(C(N)=O)sc3nc(C(F)(F)F)cc(C)c23)c2ccccc2n1
InChIInChI=1S/C26H21F3N6O2S/c1-11-9-18(26(27,28)29)32-25-19(11)21(22(38-25)23(30)36)33-24(37)15-10-17(20-12(2)34-35(4)13(20)3)31-16-8-6-5-7-14(15)16/h5-10H,1-4H3,(H2,30,36)(H,33,37)
InChIKeyNUSRHCMPUJJRAU-UHFFFAOYSA-N
MW538.56 g/mol
LogP5.54
Rot. Bonds4

About 4-methyl-6-(trifluoromethyl)-3-[[2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide

4-methyl-6-(trifluoromethyl)-3-[[2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 19512760) has the molecular formula C26H21F3N6O2S and a molecular weight of 538.56 g/mol. Its IUPAC name is 4-methyl-6-(trifluoromethyl)-3-[[2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-methyl-6-(trifluoromethyl)-3-[[2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID19512760
Molecular FormulaC26H21F3N6O2S
Molecular Weight538.56 g/mol
Exact Mass538.14
IUPAC Name4-methyl-6-(trifluoromethyl)-3-[[2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1nn(C)c(C)c1-c1cc(C(=O)Nc2c(C(N)=O)sc3nc(C(F)(F)F)cc(C)c23)c2ccccc2n1
InChIInChI=1S/C26H21F3N6O2S/c1-11-9-18(26(27,28)29)32-25-19(11)21(22(38-25)23(30)36)33-24(37)15-10-17(20-12(2)34-35(4)13(20)3)31-16-8-6-5-7-14(15)16/h5-10H,1-4H3,(H2,30,36)(H,33,37)
InChIKeyNUSRHCMPUJJRAU-UHFFFAOYSA-N
XLogP5.54
TPSA115.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.56
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[[2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carbonyl]amino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19511845
4-methyl-6-(trifluoromethyl)-3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide
CID 19281625
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
N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512882
propan-2-yl 5-carbamoyl-4-methyl-2-[[2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carbonyl]amino]thiophene-3-carboxylate
CID 19512678
3-[[2-(1-ethylpyrazol-4-yl)quinoline-4-carbonyl]amino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19518740
4-methyl-3-[[1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19267686
6-(difluoromethyl)-3-[[2-(1-ethyl-3-methylpyrazol-4-yl)quinoline-4-carbonyl]amino]-4-methylthieno[2,3-b]pyridine-2-carboxamide
CID 19511542
3-[(1-ethyl-5-methylpyrazole-4-carbonyl)amino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19280793
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
3-[[2-(1-ethylpyrazol-4-yl)quinoline-4-carbonyl]amino]-4-(4-fluorophenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19518754
3-[(4-chloro-1,5-dimethylpyrazole-3-carbonyl)amino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19266886

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(trifluoromethyl)-3-[[2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 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) is 4-methyl-6-(trifluoromethyl)-3-[[2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 4-methyl-6-(trifluoromethyl)-3-[[2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 4-methyl-6-(trifluoromethyl)-3-[[2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide is Cc1nn(C)c(C)c1-c1cc(C(=O)Nc2c(C(N)=O)sc3nc(C(F)(F)F)cc(C)c23)c2ccccc2n1.
What is the InChIKey of 4-methyl-6-(trifluoromethyl)-3-[[2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is NUSRHCMPUJJRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F3N6O2S/c1-11-9-18(26(27,28)29)32-25-19(11)21(22(38-25)23(30)36)33-24(37)15-10-17(20-12(2)34-35(4)13(20)3)31-16-8-6-5-7-14(15)16/h5-10H,1-4H3,(H2,30,36)(H,33,37).
What are the key properties of 4-methyl-6-(trifluoromethyl)-3-[[2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide?
4-methyl-6-(trifluoromethyl)-3-[[2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 538.56 g/mol, XLogP of 5.54, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(trifluoromethyl)-3-[[2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 19512760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).