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

C24H22F2N4O — CID 118170908

IUPACN-[1-[(2,6-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2,6-dimethylquinoline-4-carboxamide
SMILESCc1ccc2nc(C)cc(C(=O)Nc3c(C)nn(Cc4c(F)cccc4F)c3C)c2c1
InChIInChI=1S/C24H22F2N4O/c1-13-8-9-22-17(10-13)18(11-14(2)27-22)24(31)28-23-15(3)29-30(16(23)4)12-19-20(25)6-5-7-21(19)26/h5-11H,12H2,1-4H3,(H,28,31)
InChIKeySNUYRPXOZSNRJK-UHFFFAOYSA-N
MW420.46 g/mol
LogP5.24
Rot. Bonds4

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

N-[1-[(2,6-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2,6-dimethylquinoline-4-carboxamide (PubChem CID 118170908) has the molecular formula C24H22F2N4O and a molecular weight of 420.46 g/mol. Its IUPAC name is N-[1-[(2,6-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2,6-dimethylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[1-[(2,6-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2,6-dimethylquinoline-4-carboxamide
PubChem CID118170908
Molecular FormulaC24H22F2N4O
Molecular Weight420.46 g/mol
Exact Mass420.18
IUPAC NameN-[1-[(2,6-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2,6-dimethylquinoline-4-carboxamide
SMILESCc1ccc2nc(C)cc(C(=O)Nc3c(C)nn(Cc4c(F)cccc4F)c3C)c2c1
InChIInChI=1S/C24H22F2N4O/c1-13-8-9-22-17(10-13)18(11-14(2)27-22)24(31)28-23-15(3)29-30(16(23)4)12-19-20(25)6-5-7-21(19)26/h5-11H,12H2,1-4H3,(H,28,31)
InChIKeySNUYRPXOZSNRJK-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-[(3,5-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2,6-dimethylquinoline-4-carboxamide
CID 118172418
N-[1-[(3-chloro-4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2,6-dimethylquinoline-4-carboxamide
CID 118171132
N-[3,5-dimethyl-1-[[3-(trifluoromethoxy)phenyl]methyl]pyrazol-4-yl]-2,6-dimethylquinoline-4-carboxamide
CID 118171037
2-N-[1-[(2,6-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-fluoroquinoline-2,4-dicarboxamide
CID 118172328
2-(1-ethyl-3-methylpyrazol-4-yl)-N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]quinoline-4-carboxamide
CID 19511541
N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-2-fluorobenzamide
CID 17088839
N-(3-acetamido-2-methylphenyl)-2,6-dimethylquinoline-4-carboxamide
CID 134019170
N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-phenylquinoline-4-carboxamide
CID 1236021
N-[3,5-dimethyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-4-yl]-3-fluorobenzamide
CID 19401987
2,6-dimethyl-N-[(3-methylphenyl)methyl]quinoline-4-carboxamide
CID 34167121
6-bromo-N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-(trifluoromethyl)quinoline-4-carboxamide
CID 118171898
4-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]quinoline-2,4-dicarboxamide
CID 118191373

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,6-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2,6-dimethylquinoline-4-carboxamide?
The IUPAC name of N-[1-[(2,6-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2,6-dimethylquinoline-4-carboxamide (CID 118170908) is N-[1-[(2,6-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2,6-dimethylquinoline-4-carboxamide.
What is the SMILES notation for N-[1-[(2,6-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2,6-dimethylquinoline-4-carboxamide?
The canonical SMILES for N-[1-[(2,6-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2,6-dimethylquinoline-4-carboxamide is Cc1ccc2nc(C)cc(C(=O)Nc3c(C)nn(Cc4c(F)cccc4F)c3C)c2c1.
What is the InChIKey of N-[1-[(2,6-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2,6-dimethylquinoline-4-carboxamide?
The InChIKey is SNUYRPXOZSNRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N4O/c1-13-8-9-22-17(10-13)18(11-14(2)27-22)24(31)28-23-15(3)29-30(16(23)4)12-19-20(25)6-5-7-21(19)26/h5-11H,12H2,1-4H3,(H,28,31).
What are the key properties of N-[1-[(2,6-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2,6-dimethylquinoline-4-carboxamide?
N-[1-[(2,6-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-[(2,6-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2,6-dimethylquinoline-4-carboxamide is sourced from PubChem (CID 118170908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).