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

C30H21F3N6O2S — CID 19518740

IUPAC3-[[2-(1-ethylpyrazol-4-yl)quinoline-4-carbonyl]amino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCCn1cc(-c2cc(C(=O)Nc3c(C(N)=O)sc4nc(C(F)(F)F)cc(-c5ccccc5)c34)c3ccccc3n2)cn1
InChIInChI=1S/C30H21F3N6O2S/c1-2-39-15-17(14-35-39)22-12-20(18-10-6-7-11-21(18)36-22)28(41)38-25-24-19(16-8-4-3-5-9-16)13-23(30(31,32)33)37-29(24)42-26(25)27(34)40/h3-15H,2H2,1H3,(H2,34,40)(H,38,41)
InChIKeyKFKDUPSFQKCKJS-UHFFFAOYSA-N
MW586.60 g/mol
LogP6.76
Rot. Bonds6

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

3-[[2-(1-ethylpyrazol-4-yl)quinoline-4-carbonyl]amino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 19518740) has the molecular formula C30H21F3N6O2S and a molecular weight of 586.60 g/mol. Its IUPAC name is 3-[[2-(1-ethylpyrazol-4-yl)quinoline-4-carbonyl]amino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-[[2-(1-ethylpyrazol-4-yl)quinoline-4-carbonyl]amino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID19518740
Molecular FormulaC30H21F3N6O2S
Molecular Weight586.60 g/mol
Exact Mass586.14
IUPAC Name3-[[2-(1-ethylpyrazol-4-yl)quinoline-4-carbonyl]amino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCCn1cc(-c2cc(C(=O)Nc3c(C(N)=O)sc4nc(C(F)(F)F)cc(-c5ccccc5)c34)c3ccccc3n2)cn1
InChIInChI=1S/C30H21F3N6O2S/c1-2-39-15-17(14-35-39)22-12-20(18-10-6-7-11-21(18)36-22)28(41)38-25-24-19(16-8-4-3-5-9-16)13-23(30(31,32)33)37-29(24)42-26(25)27(34)40/h3-15H,2H2,1H3,(H2,34,40)(H,38,41)
InChIKeyKFKDUPSFQKCKJS-UHFFFAOYSA-N
XLogP6.76
TPSA115.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.60
LogP ≤ 56.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[[2-(1-ethylpyrazol-4-yl)quinoline-4-carbonyl]amino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-(furan-2-yl)-3-[[2-(1-methylpyrazol-4-yl)quinoline-4-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19518458
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
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
3-[[2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carbonyl]amino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19511845
3-[(1,3-diphenylpyrazole-4-carbonyl)amino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19281410
2-(1-ethylpyrazol-4-yl)quinoline-4-carbohydrazide
CID 7017788
6-(difluoromethyl)-3-[[2-(1-ethyl-3-methylpyrazol-4-yl)quinoline-4-carbonyl]amino]-4-methylthieno[2,3-b]pyridine-2-carboxamide
CID 19511542
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
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
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-ethyl-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518786

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(1-ethylpyrazol-4-yl)quinoline-4-carbonyl]amino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-[[2-(1-ethylpyrazol-4-yl)quinoline-4-carbonyl]amino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (CID 19518740) is 3-[[2-(1-ethylpyrazol-4-yl)quinoline-4-carbonyl]amino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-[[2-(1-ethylpyrazol-4-yl)quinoline-4-carbonyl]amino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-[[2-(1-ethylpyrazol-4-yl)quinoline-4-carbonyl]amino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is CCn1cc(-c2cc(C(=O)Nc3c(C(N)=O)sc4nc(C(F)(F)F)cc(-c5ccccc5)c34)c3ccccc3n2)cn1.
What is the InChIKey of 3-[[2-(1-ethylpyrazol-4-yl)quinoline-4-carbonyl]amino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is KFKDUPSFQKCKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21F3N6O2S/c1-2-39-15-17(14-35-39)22-12-20(18-10-6-7-11-21(18)36-22)28(41)38-25-24-19(16-8-4-3-5-9-16)13-23(30(31,32)33)37-29(24)42-26(25)27(34)40/h3-15H,2H2,1H3,(H2,34,40)(H,38,41).
What are the key properties of 3-[[2-(1-ethylpyrazol-4-yl)quinoline-4-carbonyl]amino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
3-[[2-(1-ethylpyrazol-4-yl)quinoline-4-carbonyl]amino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 586.60 g/mol, XLogP of 6.76, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(1-ethylpyrazol-4-yl)quinoline-4-carbonyl]amino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 19518740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).