2-(1-ethylpyrazol-4-yl)-N-[1-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]quinoline-4-carboxamide

C24H20FN7O — CID 19518726

IUPAC2-(1-ethylpyrazol-4-yl)-N-[1-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]quinoline-4-carboxamide
SMILESCCn1cc(-c2cc(C(=O)Nc3ncn(Cc4cccc(F)c4)n3)c3ccccc3n2)cn1
InChIInChI=1S/C24H20FN7O/c1-2-31-14-17(12-27-31)22-11-20(19-8-3-4-9-21(19)28-22)23(33)29-24-26-15-32(30-24)13-16-6-5-7-18(25)10-16/h3-12,14-15H,2,13H2,1H3,(H,29,30,33)
InChIKeyKIDRGKUSRADYKQ-UHFFFAOYSA-N
MW441.47 g/mol
LogP4.15
Rot. Bonds6

About 2-(1-ethylpyrazol-4-yl)-N-[1-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]quinoline-4-carboxamide

2-(1-ethylpyrazol-4-yl)-N-[1-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]quinoline-4-carboxamide (PubChem CID 19518726) has the molecular formula C24H20FN7O and a molecular weight of 441.47 g/mol. Its IUPAC name is 2-(1-ethylpyrazol-4-yl)-N-[1-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(1-ethylpyrazol-4-yl)-N-[1-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]quinoline-4-carboxamide
PubChem CID19518726
Molecular FormulaC24H20FN7O
Molecular Weight441.47 g/mol
Exact Mass441.17
IUPAC Name2-(1-ethylpyrazol-4-yl)-N-[1-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]quinoline-4-carboxamide
SMILESCCn1cc(-c2cc(C(=O)Nc3ncn(Cc4cccc(F)c4)n3)c3ccccc3n2)cn1
InChIInChI=1S/C24H20FN7O/c1-2-31-14-17(12-27-31)22-11-20(19-8-3-4-9-21(19)28-22)23(33)29-24-26-15-32(30-24)13-16-6-5-7-18(25)10-16/h3-12,14-15H,2,13H2,1H3,(H,29,30,33)
InChIKeyKIDRGKUSRADYKQ-UHFFFAOYSA-N
XLogP4.15
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.47
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1,5-dimethylpyrazol-4-yl)-N-[1-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]quinoline-4-carboxamide
CID 19512518
N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518408
2-(1-ethylpyrazol-4-yl)-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]quinoline-4-carboxamide
CID 19518695
N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518757
2-(1-ethyl-5-methylpyrazol-4-yl)-N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]quinoline-4-carboxamide
CID 19512192
N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518679
N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518422
2-(1-ethylpyrazol-4-yl)quinoline-4-carbohydrazide
CID 7017788
N-ethyl-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518786
2-(1-ethylpyrazol-4-yl)-N-(2-hydroxyphenyl)quinoline-4-carboxamide
CID 19518526
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518535
2-(1,3-dimethylpyrazol-4-yl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]quinoline-4-carboxamide
CID 19511893

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpyrazol-4-yl)-N-[1-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]quinoline-4-carboxamide?
The IUPAC name of 2-(1-ethylpyrazol-4-yl)-N-[1-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]quinoline-4-carboxamide (CID 19518726) is 2-(1-ethylpyrazol-4-yl)-N-[1-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(1-ethylpyrazol-4-yl)-N-[1-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]quinoline-4-carboxamide?
The canonical SMILES for 2-(1-ethylpyrazol-4-yl)-N-[1-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]quinoline-4-carboxamide is CCn1cc(-c2cc(C(=O)Nc3ncn(Cc4cccc(F)c4)n3)c3ccccc3n2)cn1.
What is the InChIKey of 2-(1-ethylpyrazol-4-yl)-N-[1-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]quinoline-4-carboxamide?
The InChIKey is KIDRGKUSRADYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN7O/c1-2-31-14-17(12-27-31)22-11-20(19-8-3-4-9-21(19)28-22)23(33)29-24-26-15-32(30-24)13-16-6-5-7-18(25)10-16/h3-12,14-15H,2,13H2,1H3,(H,29,30,33).
What are the key properties of 2-(1-ethylpyrazol-4-yl)-N-[1-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]quinoline-4-carboxamide?
2-(1-ethylpyrazol-4-yl)-N-[1-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]quinoline-4-carboxamide has a molecular weight of 441.47 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpyrazol-4-yl)-N-[1-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]quinoline-4-carboxamide is sourced from PubChem (CID 19518726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).