6-[(1-benzylpyrazol-4-yl)methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C24H23N5O — CID 135943723

IUPAC6-[(1-benzylpyrazol-4-yl)methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccccc2)nc2c1CN(Cc1cnn(Cc3ccccc3)c1)CC2
InChIInChI=1S/C24H23N5O/c30-24-21-17-28(12-11-22(21)26-23(27-24)20-9-5-2-6-10-20)14-19-13-25-29(16-19)15-18-7-3-1-4-8-18/h1-10,13,16H,11-12,14-15,17H2,(H,26,27,30)
InChIKeyMCDWJHCNMHDEEH-UHFFFAOYSA-N
MW397.48 g/mol
LogP3.24
Rot. Bonds5

About 6-[(1-benzylpyrazol-4-yl)methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

6-[(1-benzylpyrazol-4-yl)methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135943723) has the molecular formula C24H23N5O and a molecular weight of 397.48 g/mol. Its IUPAC name is 6-[(1-benzylpyrazol-4-yl)methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[(1-benzylpyrazol-4-yl)methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135943723
Molecular FormulaC24H23N5O
Molecular Weight397.48 g/mol
Exact Mass397.19
IUPAC Name6-[(1-benzylpyrazol-4-yl)methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccccc2)nc2c1CN(Cc1cnn(Cc3ccccc3)c1)CC2
InChIInChI=1S/C24H23N5O/c30-24-21-17-28(12-11-22(21)26-23(27-24)20-9-5-2-6-10-20)14-19-13-25-29(16-19)15-18-7-3-1-4-8-18/h1-10,13,16H,11-12,14-15,17H2,(H,26,27,30)
InChIKeyMCDWJHCNMHDEEH-UHFFFAOYSA-N
XLogP3.24
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-benzyl-2-(4-chlorophenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 137091053
6-[(1-benzylpyrazol-4-yl)methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135943728
2-phenyl-6-[(4-propylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135920104
6-[(3,5-dichloro-4-pyridinyl)methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135945123
6-[(2-ethylphenyl)methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135917731
6-[(1-benzylindol-3-yl)methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135861521
6-[(5-bromo-2-pyridinyl)methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135945183
5-[(4-oxo-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-carboxylic acid
CID 135861438
6-[(2,4-dichlorophenyl)methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135916891
6-[(5-bromofuran-2-yl)methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135862395
6-[(2-ethylpyrazol-3-yl)methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944583
6-[(4-methyl-2-phenylpyrimidin-5-yl)methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944103

Frequently Asked Questions

What is the IUPAC name of 6-[(1-benzylpyrazol-4-yl)methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-[(1-benzylpyrazol-4-yl)methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135943723) is 6-[(1-benzylpyrazol-4-yl)methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-[(1-benzylpyrazol-4-yl)methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-[(1-benzylpyrazol-4-yl)methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is O=c1[nH]c(-c2ccccc2)nc2c1CN(Cc1cnn(Cc3ccccc3)c1)CC2.
What is the InChIKey of 6-[(1-benzylpyrazol-4-yl)methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is MCDWJHCNMHDEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O/c30-24-21-17-28(12-11-22(21)26-23(27-24)20-9-5-2-6-10-20)14-19-13-25-29(16-19)15-18-7-3-1-4-8-18/h1-10,13,16H,11-12,14-15,17H2,(H,26,27,30).
What are the key properties of 6-[(1-benzylpyrazol-4-yl)methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-[(1-benzylpyrazol-4-yl)methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 397.48 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-benzylpyrazol-4-yl)methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135943723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).