N-[1-[(3,5-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2,6-dimethylquinoline-4-carboxamide

C24H22F2N4O — CID 118172418

IUPACN-[1-[(3,5-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2,6-dimethylquinoline-4-carboxamide
SMILESCc1ccc2nc(C)cc(C(=O)Nc3c(C)nn(Cc4cc(F)cc(F)c4)c3C)c2c1
InChIInChI=1S/C24H22F2N4O/c1-13-5-6-22-20(7-13)21(8-14(2)27-22)24(31)28-23-15(3)29-30(16(23)4)12-17-9-18(25)11-19(26)10-17/h5-11H,12H2,1-4H3,(H,28,31)
InChIKeyKMYFNWBVELKLHO-UHFFFAOYSA-N
MW420.46 g/mol
LogP5.24
Rot. Bonds4

About N-[1-[(3,5-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2,6-dimethylquinoline-4-carboxamide

N-[1-[(3,5-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2,6-dimethylquinoline-4-carboxamide (PubChem CID 118172418) has the molecular formula C24H22F2N4O and a molecular weight of 420.46 g/mol. Its IUPAC name is N-[1-[(3,5-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2,6-dimethylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[1-[(3,5-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2,6-dimethylquinoline-4-carboxamide
PubChem CID118172418
Molecular FormulaC24H22F2N4O
Molecular Weight420.46 g/mol
Exact Mass420.18
IUPAC NameN-[1-[(3,5-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2,6-dimethylquinoline-4-carboxamide
SMILESCc1ccc2nc(C)cc(C(=O)Nc3c(C)nn(Cc4cc(F)cc(F)c4)c3C)c2c1
InChIInChI=1S/C24H22F2N4O/c1-13-5-6-22-20(7-13)21(8-14(2)27-22)24(31)28-23-15(3)29-30(16(23)4)12-17-9-18(25)11-19(26)10-17/h5-11H,12H2,1-4H3,(H,28,31)
InChIKeyKMYFNWBVELKLHO-UHFFFAOYSA-N
XLogP5.24
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.46
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(3-chloro-4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2,6-dimethylquinoline-4-carboxamide
CID 118171132
N-[1-[(2,6-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2,6-dimethylquinoline-4-carboxamide
CID 118170908
N-[3,5-dimethyl-1-[[3-(trifluoromethoxy)phenyl]methyl]pyrazol-4-yl]-2,6-dimethylquinoline-4-carboxamide
CID 118171037
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
6-bromo-N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-(trifluoromethyl)quinoline-4-carboxamide
CID 118171898
2-cyclopropyl-N-[1-[(3,4-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-6-fluoroquinoline-4-carboxamide
CID 118171179
6-bromo-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]quinoline-4-carboxamide
CID 118171051
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-6-bromo-2-(trifluoromethyl)quinoline-4-carboxamide
CID 118171129
N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-3-fluorobenzamide
CID 17088813
N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-2-fluorobenzamide
CID 17088839
6-bromo-N-[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-(trifluoromethyl)quinoline-4-carboxamide
CID 118170976

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,5-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2,6-dimethylquinoline-4-carboxamide?
The IUPAC name of N-[1-[(3,5-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2,6-dimethylquinoline-4-carboxamide (CID 118172418) is N-[1-[(3,5-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2,6-dimethylquinoline-4-carboxamide.
What is the SMILES notation for N-[1-[(3,5-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2,6-dimethylquinoline-4-carboxamide?
The canonical SMILES for N-[1-[(3,5-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2,6-dimethylquinoline-4-carboxamide is Cc1ccc2nc(C)cc(C(=O)Nc3c(C)nn(Cc4cc(F)cc(F)c4)c3C)c2c1.
What is the InChIKey of N-[1-[(3,5-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2,6-dimethylquinoline-4-carboxamide?
The InChIKey is KMYFNWBVELKLHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N4O/c1-13-5-6-22-20(7-13)21(8-14(2)27-22)24(31)28-23-15(3)29-30(16(23)4)12-17-9-18(25)11-19(26)10-17/h5-11H,12H2,1-4H3,(H,28,31).
What are the key properties of N-[1-[(3,5-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2,6-dimethylquinoline-4-carboxamide?
N-[1-[(3,5-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2,6-dimethylquinoline-4-carboxamide has a molecular weight of 420.46 g/mol, XLogP of 5.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,5-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2,6-dimethylquinoline-4-carboxamide is sourced from PubChem (CID 118172418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).