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

C23H26N6O — CID 46977200

IUPAC2-(2-methylpyrazol-3-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]quinoline-4-carboxamide
SMILESCc1nn(C)c(C)c1CC(C)NC(=O)c1cc(-c2ccnn2C)nc2ccccc12
InChIInChI=1S/C23H26N6O/c1-14(12-18-15(2)27-28(4)16(18)3)25-23(30)19-13-21(22-10-11-24-29(22)5)26-20-9-7-6-8-17(19)20/h6-11,13-14H,12H2,1-5H3,(H,25,30)
InChIKeyOXCMNLNZOIPDGL-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.35
Rot. Bonds5

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

2-(2-methylpyrazol-3-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]quinoline-4-carboxamide (PubChem CID 46977200) has the molecular formula C23H26N6O and a molecular weight of 402.50 g/mol. Its IUPAC name is 2-(2-methylpyrazol-3-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2-methylpyrazol-3-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]quinoline-4-carboxamide
PubChem CID46977200
Molecular FormulaC23H26N6O
Molecular Weight402.50 g/mol
Exact Mass402.22
IUPAC Name2-(2-methylpyrazol-3-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]quinoline-4-carboxamide
SMILESCc1nn(C)c(C)c1CC(C)NC(=O)c1cc(-c2ccnn2C)nc2ccccc12
InChIInChI=1S/C23H26N6O/c1-14(12-18-15(2)27-28(4)16(18)3)25-23(30)19-13-21(22-10-11-24-29(22)5)26-20-9-7-6-8-17(19)20/h6-11,13-14H,12H2,1-5H3,(H,25,30)
InChIKeyOXCMNLNZOIPDGL-UHFFFAOYSA-N
XLogP3.35
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.35
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-(1,3-dimethylpyrazol-4-yl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]quinoline-4-carboxamide
CID 92627008
2-cyclopropyl-N-[(2R)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]quinoline-4-carboxamide
CID 92626066
N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(2-methylpyrazol-3-yl)quinoline-4-carboxamide
CID 92627022
7-phenyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46974575
6-fluoro-2-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]quinoline-3-carboxamide
CID 46975769
N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512882
N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-2,3-dihydro-1-benzofuran-7-carboxamide
CID 138026295
2-(1,5-dimethylpyrazol-4-yl)-N-(1-morpholin-4-ylpropan-2-yl)quinoline-4-carboxamide
CID 46977184
3-methyl-1-phenyl-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]thieno[3,2-d]pyrazole-5-carboxamide
CID 99811426
N-butan-2-yl-2-(furan-2-yl)quinoline-4-carboxamide
CID 3637493
4-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]benzene-1,4-dicarboxamide
CID 119138224

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpyrazol-3-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]quinoline-4-carboxamide?
The IUPAC name of 2-(2-methylpyrazol-3-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]quinoline-4-carboxamide (CID 46977200) is 2-(2-methylpyrazol-3-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(2-methylpyrazol-3-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]quinoline-4-carboxamide?
The canonical SMILES for 2-(2-methylpyrazol-3-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]quinoline-4-carboxamide is Cc1nn(C)c(C)c1CC(C)NC(=O)c1cc(-c2ccnn2C)nc2ccccc12.
What is the InChIKey of 2-(2-methylpyrazol-3-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]quinoline-4-carboxamide?
The InChIKey is OXCMNLNZOIPDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O/c1-14(12-18-15(2)27-28(4)16(18)3)25-23(30)19-13-21(22-10-11-24-29(22)5)26-20-9-7-6-8-17(19)20/h6-11,13-14H,12H2,1-5H3,(H,25,30).
What are the key properties of 2-(2-methylpyrazol-3-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]quinoline-4-carboxamide?
2-(2-methylpyrazol-3-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]quinoline-4-carboxamide has a molecular weight of 402.50 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpyrazol-3-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]quinoline-4-carboxamide is sourced from PubChem (CID 46977200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).