2-(1,3-dimethylpyrazol-4-yl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]quinoline-4-carboxamide

C24H28N6O — CID 92627008

IUPAC2-(1,3-dimethylpyrazol-4-yl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]quinoline-4-carboxamide
SMILESCc1nn(C)cc1-c1cc(C(=O)N[C@@H](C)Cc2c(C)nn(C)c2C)c2ccccc2n1
InChIInChI=1S/C24H28N6O/c1-14(11-19-15(2)28-30(6)17(19)4)25-24(31)20-12-23(21-13-29(5)27-16(21)3)26-22-10-8-7-9-18(20)22/h7-10,12-14H,11H2,1-6H3,(H,25,31)/t14-/m0/s1
InChIKeyJBUBOXKYPGCVMS-AWEZNQCLSA-N
MW416.53 g/mol
LogP3.66
Rot. Bonds5

About 2-(1,3-dimethylpyrazol-4-yl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]quinoline-4-carboxamide

2-(1,3-dimethylpyrazol-4-yl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]quinoline-4-carboxamide (PubChem CID 92627008) has the molecular formula C24H28N6O and a molecular weight of 416.53 g/mol. Its IUPAC name is 2-(1,3-dimethylpyrazol-4-yl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(1,3-dimethylpyrazol-4-yl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]quinoline-4-carboxamide
PubChem CID92627008
Molecular FormulaC24H28N6O
Molecular Weight416.53 g/mol
Exact Mass416.23
IUPAC Name2-(1,3-dimethylpyrazol-4-yl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]quinoline-4-carboxamide
SMILESCc1nn(C)cc1-c1cc(C(=O)N[C@@H](C)Cc2c(C)nn(C)c2C)c2ccccc2n1
InChIInChI=1S/C24H28N6O/c1-14(11-19-15(2)28-30(6)17(19)4)25-24(31)20-12-23(21-13-29(5)27-16(21)3)26-22-10-8-7-9-18(20)22/h7-10,12-14H,11H2,1-6H3,(H,25,31)/t14-/m0/s1
InChIKeyJBUBOXKYPGCVMS-AWEZNQCLSA-N
XLogP3.66
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-methylpyrazol-3-yl)-N-[(2R)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]quinoline-4-carboxamide
CID 92626923
2-(2-methylpyrazol-3-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]quinoline-4-carboxamide
CID 46977200
2-cyclopropyl-N-[(2R)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]quinoline-4-carboxamide
CID 92626066
N-[1-(1-adamantyl)propyl]-2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19584390
N-(4-acetamidophenyl)-2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19511719
N-(2,6-dichlorophenyl)-2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19511727
2-(1,3-dimethylpyrazol-4-yl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)quinoline-4-carboxamide
CID 19511932
ethyl (E)-3-[[2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carbonyl]amino]but-2-enoate
CID 19511921
N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19511884
dimethyl 5-[[2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carbonyl]amino]benzene-1,3-dicarboxylate
CID 19511697
methyl 2-[[2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carbonyl]amino]-5-methylthiophene-3-carboxylate
CID 19511808
2-(1,3-dimethylpyrazol-4-yl)-N-[1-ethyl-3-(phenylcarbamoyl)pyrazol-4-yl]quinoline-4-carboxamide
CID 19511939

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethylpyrazol-4-yl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]quinoline-4-carboxamide?
The IUPAC name of 2-(1,3-dimethylpyrazol-4-yl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]quinoline-4-carboxamide (CID 92627008) is 2-(1,3-dimethylpyrazol-4-yl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(1,3-dimethylpyrazol-4-yl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]quinoline-4-carboxamide?
The canonical SMILES for 2-(1,3-dimethylpyrazol-4-yl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]quinoline-4-carboxamide is Cc1nn(C)cc1-c1cc(C(=O)N[C@@H](C)Cc2c(C)nn(C)c2C)c2ccccc2n1.
What is the InChIKey of 2-(1,3-dimethylpyrazol-4-yl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]quinoline-4-carboxamide?
The InChIKey is JBUBOXKYPGCVMS-AWEZNQCLSA-N. The full InChI is InChI=1S/C24H28N6O/c1-14(11-19-15(2)28-30(6)17(19)4)25-24(31)20-12-23(21-13-29(5)27-16(21)3)26-22-10-8-7-9-18(20)22/h7-10,12-14H,11H2,1-6H3,(H,25,31)/t14-/m0/s1.
What are the key properties of 2-(1,3-dimethylpyrazol-4-yl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]quinoline-4-carboxamide?
2-(1,3-dimethylpyrazol-4-yl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]quinoline-4-carboxamide has a molecular weight of 416.53 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethylpyrazol-4-yl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]quinoline-4-carboxamide is sourced from PubChem (CID 92627008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).