6-chloro-2-(5-ethylthiophen-2-yl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]quinoline-4-carboxamide

C26H20ClFN4OS — CID 17250376

IUPAC6-chloro-2-(5-ethylthiophen-2-yl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]quinoline-4-carboxamide
SMILESCCc1ccc(-c2cc(C(=O)Nc3cnn(Cc4ccccc4F)c3)c3cc(Cl)ccc3n2)s1
InChIInChI=1S/C26H20ClFN4OS/c1-2-19-8-10-25(34-19)24-12-21(20-11-17(27)7-9-23(20)31-24)26(33)30-18-13-29-32(15-18)14-16-5-3-4-6-22(16)28/h3-13,15H,2,14H2,1H3,(H,30,33)
InChIKeyHQRPAJYYMJZKSC-UHFFFAOYSA-N
MW490.99 g/mol
LogP6.82
Rot. Bonds6

About 6-chloro-2-(5-ethylthiophen-2-yl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]quinoline-4-carboxamide

6-chloro-2-(5-ethylthiophen-2-yl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]quinoline-4-carboxamide (PubChem CID 17250376) has the molecular formula C26H20ClFN4OS and a molecular weight of 490.99 g/mol. Its IUPAC name is 6-chloro-2-(5-ethylthiophen-2-yl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]quinoline-4-carboxamide.

Molecular Properties

Compound Name6-chloro-2-(5-ethylthiophen-2-yl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]quinoline-4-carboxamide
PubChem CID17250376
Molecular FormulaC26H20ClFN4OS
Molecular Weight490.99 g/mol
Exact Mass490.10
IUPAC Name6-chloro-2-(5-ethylthiophen-2-yl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]quinoline-4-carboxamide
SMILESCCc1ccc(-c2cc(C(=O)Nc3cnn(Cc4ccccc4F)c3)c3cc(Cl)ccc3n2)s1
InChIInChI=1S/C26H20ClFN4OS/c1-2-19-8-10-25(34-19)24-12-21(20-11-17(27)7-9-23(20)31-24)26(33)30-18-13-29-32(15-18)14-16-5-3-4-6-22(16)28/h3-13,15H,2,14H2,1H3,(H,30,33)
InChIKeyHQRPAJYYMJZKSC-UHFFFAOYSA-N
XLogP6.82
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.99
LogP ≤ 56.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2,5-dimethylbenzamide
CID 19399960
N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 44823313
N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2,4-dimethoxybenzamide
CID 19399965
N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]butanamide
CID 19399998
6-chloro-2-(5-ethylthiophen-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide
CID 40719728
N-(1,3-benzodioxol-5-yl)-2-(5-ethylthiophen-2-yl)quinoline-4-carboxamide
CID 1261575
2-(5-ethylthiophen-2-yl)quinoline-4-carbohydrazide
CID 25218964
3-(dimethylamino)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 35590668
[6-chloro-2-(5-ethylthiophen-2-yl)quinolin-4-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 40636886
N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-2-(1,5-dimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512495
3-[(2,4-dichlorophenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19399869
5-[(4-chloro-2-methylphenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19399923

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(5-ethylthiophen-2-yl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]quinoline-4-carboxamide?
The IUPAC name of 6-chloro-2-(5-ethylthiophen-2-yl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]quinoline-4-carboxamide (CID 17250376) is 6-chloro-2-(5-ethylthiophen-2-yl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]quinoline-4-carboxamide.
What is the SMILES notation for 6-chloro-2-(5-ethylthiophen-2-yl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]quinoline-4-carboxamide?
The canonical SMILES for 6-chloro-2-(5-ethylthiophen-2-yl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]quinoline-4-carboxamide is CCc1ccc(-c2cc(C(=O)Nc3cnn(Cc4ccccc4F)c3)c3cc(Cl)ccc3n2)s1.
What is the InChIKey of 6-chloro-2-(5-ethylthiophen-2-yl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]quinoline-4-carboxamide?
The InChIKey is HQRPAJYYMJZKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClFN4OS/c1-2-19-8-10-25(34-19)24-12-21(20-11-17(27)7-9-23(20)31-24)26(33)30-18-13-29-32(15-18)14-16-5-3-4-6-22(16)28/h3-13,15H,2,14H2,1H3,(H,30,33).
What are the key properties of 6-chloro-2-(5-ethylthiophen-2-yl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]quinoline-4-carboxamide?
6-chloro-2-(5-ethylthiophen-2-yl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]quinoline-4-carboxamide has a molecular weight of 490.99 g/mol, XLogP of 6.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(5-ethylthiophen-2-yl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]quinoline-4-carboxamide is sourced from PubChem (CID 17250376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).