1-methyl-6-[4-[[1-(3-methylimidazole-4-carbonyl)piperidin-4-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one

C24H28N6O2 — CID 121305393

IUPAC1-methyl-6-[4-[[1-(3-methylimidazole-4-carbonyl)piperidin-4-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(-c3[nH]ncc3CC3CCN(C(=O)c4cncn4C)CC3)ccc21
InChIInChI=1S/C24H28N6O2/c1-28-15-25-14-21(28)24(32)30-9-7-16(8-10-30)11-19-13-26-27-23(19)18-3-5-20-17(12-18)4-6-22(31)29(20)2/h3,5,12-16H,4,6-11H2,1-2H3,(H,26,27)
InChIKeyRATCSTAZAVMNFV-UHFFFAOYSA-N
MW432.53 g/mol
LogP2.81
Rot. Bonds4

About 1-methyl-6-[4-[[1-(3-methylimidazole-4-carbonyl)piperidin-4-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one

1-methyl-6-[4-[[1-(3-methylimidazole-4-carbonyl)piperidin-4-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one (PubChem CID 121305393) has the molecular formula C24H28N6O2 and a molecular weight of 432.53 g/mol. Its IUPAC name is 1-methyl-6-[4-[[1-(3-methylimidazole-4-carbonyl)piperidin-4-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-methyl-6-[4-[[1-(3-methylimidazole-4-carbonyl)piperidin-4-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one
PubChem CID121305393
Molecular FormulaC24H28N6O2
Molecular Weight432.53 g/mol
Exact Mass432.23
IUPAC Name1-methyl-6-[4-[[1-(3-methylimidazole-4-carbonyl)piperidin-4-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(-c3[nH]ncc3CC3CCN(C(=O)c4cncn4C)CC3)ccc21
InChIInChI=1S/C24H28N6O2/c1-28-15-25-14-21(28)24(32)30-9-7-16(8-10-30)11-19-13-26-27-23(19)18-3-5-20-17(12-18)4-6-22(31)29(20)2/h3,5,12-16H,4,6-11H2,1-2H3,(H,26,27)
InChIKeyRATCSTAZAVMNFV-UHFFFAOYSA-N
XLogP2.81
TPSA87.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)(6-(quinazolin-2-yl)-3,6-diazabicyclo[3.2.1]octan-3-yl)methanone
CID 24968277
1-(4-benzoylpiperazin-1-yl)-2-[4-(1H-pyrazol-5-yl)-5H-pyrrolo[3,2-d]pyrimidin-7-yl]ethane-1,2-dione
CID 59729274
4-(7-((1H-Imidazol-1-YL)methyl)-5-(1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-YL)-1-oxo-3,4-dihydroisoquinolin-2(1H)-YL)-6-ethyl-N-methylquinoline-8-carboxamide
CID 166449496
(5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)(3-(quinazolin-2-yl)-3,6-diazabicyclo[3.2.1]octan-6-yl)methanone
CID 46883864
(6-(6-fluoroquinazolin-2-yl)-2,6-diazabicyclo[3.2.1]octan-2-yl)(5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)methanone
CID 46883865
1-[7-ethyl-5-methyl-8-(1-methylpyrazol-3-yl)-6-oxo-7H-pteridin-2-yl]-N-propan-2-ylindole-5-carboxamide
CID 145949395
1-[7-ethyl-5-methyl-8-(1-methylpyrazol-3-yl)-6-oxo-7H-pteridin-2-yl]indole-5-carboxamide
CID 145950319
1-[7-ethyl-5-methyl-8-(1-methylpyrazol-3-yl)-6-oxo-7H-pteridin-2-yl]-N-(2-methylpropyl)indole-5-carboxamide
CID 145950845
N-ethyl-1-[7-ethyl-5-methyl-8-(1-methylpyrazol-3-yl)-6-oxo-7H-pteridin-2-yl]indole-5-carboxamide
CID 145953240
N-butyl-1-[7-ethyl-5-methyl-8-(1-methylpyrazol-3-yl)-6-oxo-7H-pteridin-2-yl]indole-5-carboxamide
CID 145957656
1-[7-ethyl-5-methyl-8-(1-methylpyrazol-3-yl)-6-oxo-7H-pteridin-2-yl]-N-methylindole-5-carboxamide
CID 145958071
N-cyclopentyl-1-[7-ethyl-5-methyl-8-(1-methylpyrazol-3-yl)-6-oxo-7H-pteridin-2-yl]indole-5-carboxamide
CID 145958548

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[4-[[1-(3-methylimidazole-4-carbonyl)piperidin-4-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-methyl-6-[4-[[1-(3-methylimidazole-4-carbonyl)piperidin-4-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one (CID 121305393) is 1-methyl-6-[4-[[1-(3-methylimidazole-4-carbonyl)piperidin-4-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-methyl-6-[4-[[1-(3-methylimidazole-4-carbonyl)piperidin-4-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-methyl-6-[4-[[1-(3-methylimidazole-4-carbonyl)piperidin-4-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one is CN1C(=O)CCc2cc(-c3[nH]ncc3CC3CCN(C(=O)c4cncn4C)CC3)ccc21.
What is the InChIKey of 1-methyl-6-[4-[[1-(3-methylimidazole-4-carbonyl)piperidin-4-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one?
The InChIKey is RATCSTAZAVMNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2/c1-28-15-25-14-21(28)24(32)30-9-7-16(8-10-30)11-19-13-26-27-23(19)18-3-5-20-17(12-18)4-6-22(31)29(20)2/h3,5,12-16H,4,6-11H2,1-2H3,(H,26,27).
What are the key properties of 1-methyl-6-[4-[[1-(3-methylimidazole-4-carbonyl)piperidin-4-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one?
1-methyl-6-[4-[[1-(3-methylimidazole-4-carbonyl)piperidin-4-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one has a molecular weight of 432.53 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[4-[[1-(3-methylimidazole-4-carbonyl)piperidin-4-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 121305393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).