4-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidine-1-carbonyl]-2H-phthalazin-1-one

C26H24N4O2 — CID 124991722

IUPAC4-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidine-1-carbonyl]-2H-phthalazin-1-one
SMILESCc1cc(-c2ccccc2)cc([C@H]2CCCN(C(=O)c3n[nH]c(=O)c4ccccc34)C2)n1
InChIInChI=1S/C26H24N4O2/c1-17-14-20(18-8-3-2-4-9-18)15-23(27-17)19-10-7-13-30(16-19)26(32)24-21-11-5-6-12-22(21)25(31)29-28-24/h2-6,8-9,11-12,14-15,19H,7,10,13,16H2,1H3,(H,29,31)/t19-/m0/s1
InChIKeyPLJWVOCIGKPIKZ-IBGZPJMESA-N
MW424.50 g/mol
LogP4.31
Rot. Bonds3

About 4-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidine-1-carbonyl]-2H-phthalazin-1-one

4-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidine-1-carbonyl]-2H-phthalazin-1-one (PubChem CID 124991722) has the molecular formula C26H24N4O2 and a molecular weight of 424.50 g/mol. Its IUPAC name is 4-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidine-1-carbonyl]-2H-phthalazin-1-one.

Molecular Properties

Compound Name4-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidine-1-carbonyl]-2H-phthalazin-1-one
PubChem CID124991722
Molecular FormulaC26H24N4O2
Molecular Weight424.50 g/mol
Exact Mass424.19
IUPAC Name4-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidine-1-carbonyl]-2H-phthalazin-1-one
SMILESCc1cc(-c2ccccc2)cc([C@H]2CCCN(C(=O)c3n[nH]c(=O)c4ccccc34)C2)n1
InChIInChI=1S/C26H24N4O2/c1-17-14-20(18-8-3-2-4-9-18)15-23(27-17)19-10-7-13-30(16-19)26(32)24-21-11-5-6-12-22(21)25(31)29-28-24/h2-6,8-9,11-12,14-15,19H,7,10,13,16H2,1H3,(H,29,31)/t19-/m0/s1
InChIKeyPLJWVOCIGKPIKZ-IBGZPJMESA-N
XLogP4.31
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidine-1-carbonyl]-2H-phthalazin-1-one with MolForge

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Related Compounds

[3-(6-methyl-4-phenyl-2-pyridinyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 110091917
cyclopentyl-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidin-1-yl]methanone
CID 124980635
4-[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidine-1-carbonyl]-2H-phthalazin-1-one
CID 124994289
isoquinolin-1-yl-[3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone
CID 110091884
4-[3-(6-methyl-4-phenyl-2-pyridinyl)piperidine-1-carbonyl]benzenesulfonamide
CID 110091936
[(3R)-3-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 125010830
(4R)-4-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 125003710
3-[(3R)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidine-1-carbonyl]benzenesulfonamide
CID 129459783
3-methyl-2-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidine-1-carbonyl]-6,7-dihydro-5H-1-benzofuran-4-one
CID 124998727
[3-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
CID 110091836
(5S)-5-[3-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 124976368
4-[4-(4,6-dimethylpyrimidin-2-yl)piperazine-1-carbonyl]-2H-phthalazin-1-one
CID 2118213

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidine-1-carbonyl]-2H-phthalazin-1-one?
The IUPAC name of 4-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidine-1-carbonyl]-2H-phthalazin-1-one (CID 124991722) is 4-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidine-1-carbonyl]-2H-phthalazin-1-one.
What is the SMILES notation for 4-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidine-1-carbonyl]-2H-phthalazin-1-one?
The canonical SMILES for 4-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidine-1-carbonyl]-2H-phthalazin-1-one is Cc1cc(-c2ccccc2)cc([C@H]2CCCN(C(=O)c3n[nH]c(=O)c4ccccc34)C2)n1.
What is the InChIKey of 4-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidine-1-carbonyl]-2H-phthalazin-1-one?
The InChIKey is PLJWVOCIGKPIKZ-IBGZPJMESA-N. The full InChI is InChI=1S/C26H24N4O2/c1-17-14-20(18-8-3-2-4-9-18)15-23(27-17)19-10-7-13-30(16-19)26(32)24-21-11-5-6-12-22(21)25(31)29-28-24/h2-6,8-9,11-12,14-15,19H,7,10,13,16H2,1H3,(H,29,31)/t19-/m0/s1.
What are the key properties of 4-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidine-1-carbonyl]-2H-phthalazin-1-one?
4-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidine-1-carbonyl]-2H-phthalazin-1-one has a molecular weight of 424.50 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidine-1-carbonyl]-2H-phthalazin-1-one is sourced from PubChem (CID 124991722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).