2-(3-methylphenyl)-6-[(1S,2R)-2-phenylcyclopropanecarbonyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C24H23N3O2 — CID 135748829

IUPAC2-(3-methylphenyl)-6-[(1S,2R)-2-phenylcyclopropanecarbonyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1cccc(-c2nc3c(c(=O)[nH]2)CN(C(=O)[C@H]2C[C@H]2c2ccccc2)CC3)c1
InChIInChI=1S/C24H23N3O2/c1-15-6-5-9-17(12-15)22-25-21-10-11-27(14-20(21)23(28)26-22)24(29)19-13-18(19)16-7-3-2-4-8-16/h2-9,12,18-19H,10-11,13-14H2,1H3,(H,25,26,28)/t18-,19-/m0/s1
InChIKeyAFPSDBVEZIWQAF-OALUTQOASA-N
MW385.47 g/mol
LogP3.43
Rot. Bonds3

About 2-(3-methylphenyl)-6-[(1S,2R)-2-phenylcyclopropanecarbonyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

2-(3-methylphenyl)-6-[(1S,2R)-2-phenylcyclopropanecarbonyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135748829) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 2-(3-methylphenyl)-6-[(1S,2R)-2-phenylcyclopropanecarbonyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(3-methylphenyl)-6-[(1S,2R)-2-phenylcyclopropanecarbonyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135748829
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC Name2-(3-methylphenyl)-6-[(1S,2R)-2-phenylcyclopropanecarbonyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1cccc(-c2nc3c(c(=O)[nH]2)CN(C(=O)[C@H]2C[C@H]2c2ccccc2)CC3)c1
InChIInChI=1S/C24H23N3O2/c1-15-6-5-9-17(12-15)22-25-21-10-11-27(14-20(21)23(28)26-22)24(29)19-13-18(19)16-7-3-2-4-8-16/h2-9,12,18-19H,10-11,13-14H2,1H3,(H,25,26,28)/t18-,19-/m0/s1
InChIKeyAFPSDBVEZIWQAF-OALUTQOASA-N
XLogP3.43
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3-chlorobenzoyl)-2-(3-methylphenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135622545
6-acetyl-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135478590
6-(cyclopentanecarbonyl)-2-(3-fluorophenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135772033
4-(4-oxo-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carbonyl)benzamide
CID 155539033
6-(2-bromobenzoyl)-2-(4-methylphenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135499018
6-(2-methoxybenzoyl)-2-(4-methylphenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135444035
2-(4-methylphenyl)-6-(2-phenylmethoxyacetyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135538481
6-acetyl-2-(4-fluorophenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135542344
N-(4-methoxyphenyl)-4-oxo-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxamide
CID 135772166
7-[(2R)-5-oxopyrrolidine-2-carbonyl]-2-phenyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135990837
6-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136627835
2-(3-methylpiperidin-1-yl)-6-(3-phenylpyrazolidine-4-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 137266362

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-6-[(1S,2R)-2-phenylcyclopropanecarbonyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-(3-methylphenyl)-6-[(1S,2R)-2-phenylcyclopropanecarbonyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135748829) is 2-(3-methylphenyl)-6-[(1S,2R)-2-phenylcyclopropanecarbonyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(3-methylphenyl)-6-[(1S,2R)-2-phenylcyclopropanecarbonyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(3-methylphenyl)-6-[(1S,2R)-2-phenylcyclopropanecarbonyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is Cc1cccc(-c2nc3c(c(=O)[nH]2)CN(C(=O)[C@H]2C[C@H]2c2ccccc2)CC3)c1.
What is the InChIKey of 2-(3-methylphenyl)-6-[(1S,2R)-2-phenylcyclopropanecarbonyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is AFPSDBVEZIWQAF-OALUTQOASA-N. The full InChI is InChI=1S/C24H23N3O2/c1-15-6-5-9-17(12-15)22-25-21-10-11-27(14-20(21)23(28)26-22)24(29)19-13-18(19)16-7-3-2-4-8-16/h2-9,12,18-19H,10-11,13-14H2,1H3,(H,25,26,28)/t18-,19-/m0/s1.
What are the key properties of 2-(3-methylphenyl)-6-[(1S,2R)-2-phenylcyclopropanecarbonyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
2-(3-methylphenyl)-6-[(1S,2R)-2-phenylcyclopropanecarbonyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 385.47 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-6-[(1S,2R)-2-phenylcyclopropanecarbonyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135748829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).