7-bromo-2-cyclopropyl-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]quinoline-4-carboxamide

C25H22BrFN4O — CID 118171105

IUPAC7-bromo-2-cyclopropyl-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]quinoline-4-carboxamide
SMILESCc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)c1cc(C2CC2)nc2cc(Br)ccc12
InChIInChI=1S/C25H22BrFN4O/c1-14-24(15(2)31(30-14)13-16-3-8-19(27)9-4-16)29-25(32)21-12-22(17-5-6-17)28-23-11-18(26)7-10-20(21)23/h3-4,7-12,17H,5-6,13H2,1-2H3,(H,29,32)
InChIKeyIGLYWUFWHJWQBG-UHFFFAOYSA-N
MW493.38 g/mol
LogP6.13
Rot. Bonds5

About 7-bromo-2-cyclopropyl-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]quinoline-4-carboxamide

7-bromo-2-cyclopropyl-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]quinoline-4-carboxamide (PubChem CID 118171105) has the molecular formula C25H22BrFN4O and a molecular weight of 493.38 g/mol. Its IUPAC name is 7-bromo-2-cyclopropyl-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]quinoline-4-carboxamide.

Molecular Properties

Compound Name7-bromo-2-cyclopropyl-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]quinoline-4-carboxamide
PubChem CID118171105
Molecular FormulaC25H22BrFN4O
Molecular Weight493.38 g/mol
Exact Mass492.10
IUPAC Name7-bromo-2-cyclopropyl-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]quinoline-4-carboxamide
SMILESCc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)c1cc(C2CC2)nc2cc(Br)ccc12
InChIInChI=1S/C25H22BrFN4O/c1-14-24(15(2)31(30-14)13-16-3-8-19(27)9-4-16)29-25(32)21-12-22(17-5-6-17)28-23-11-18(26)7-10-20(21)23/h3-4,7-12,17H,5-6,13H2,1-2H3,(H,29,32)
InChIKeyIGLYWUFWHJWQBG-UHFFFAOYSA-N
XLogP6.13
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.38
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-N-[1-[(3,4-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-6-fluoroquinoline-4-carboxamide
CID 118171179
2-cyclopropyl-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-8-(trifluoromethyl)quinoline-4-carboxamide
CID 118171152
6-bromo-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]quinoline-4-carboxamide
CID 118171051
7-bromo-N-[1-[(3,4-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-(trifluoromethyl)quinoline-4-carboxamide
CID 118171120
N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-phenylquinoline-4-carboxamide
CID 1236021
4-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]quinoline-2,4-dicarboxamide
CID 118191373
N-[1-[(4-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-chloro-4,5-difluorobenzamide
CID 35278379
6-bromo-N-[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-(trifluoromethyl)quinoline-4-carboxamide
CID 118170976
6-bromo-N-[1-[(4-hydroxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-(trifluoromethyl)quinoline-4-carboxamide
CID 118170912
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-6-bromo-2-(trifluoromethyl)quinoline-4-carboxamide
CID 118171129
methyl 4-[[4-[[6-bromo-2-(trifluoromethyl)quinoline-4-carbonyl]amino]-3,5-dimethylpyrazol-1-yl]methyl]benzoate
CID 118171135
6-bromo-N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-(trifluoromethyl)quinoline-4-carboxamide
CID 118171898

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-cyclopropyl-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]quinoline-4-carboxamide?
The IUPAC name of 7-bromo-2-cyclopropyl-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]quinoline-4-carboxamide (CID 118171105) is 7-bromo-2-cyclopropyl-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]quinoline-4-carboxamide.
What is the SMILES notation for 7-bromo-2-cyclopropyl-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]quinoline-4-carboxamide?
The canonical SMILES for 7-bromo-2-cyclopropyl-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]quinoline-4-carboxamide is Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)c1cc(C2CC2)nc2cc(Br)ccc12.
What is the InChIKey of 7-bromo-2-cyclopropyl-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]quinoline-4-carboxamide?
The InChIKey is IGLYWUFWHJWQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22BrFN4O/c1-14-24(15(2)31(30-14)13-16-3-8-19(27)9-4-16)29-25(32)21-12-22(17-5-6-17)28-23-11-18(26)7-10-20(21)23/h3-4,7-12,17H,5-6,13H2,1-2H3,(H,29,32).
What are the key properties of 7-bromo-2-cyclopropyl-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]quinoline-4-carboxamide?
7-bromo-2-cyclopropyl-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]quinoline-4-carboxamide has a molecular weight of 493.38 g/mol, XLogP of 6.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-cyclopropyl-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]quinoline-4-carboxamide is sourced from PubChem (CID 118171105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).