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

C30H25N5O2 — CID 136627835

IUPAC6-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=C(Cn1nc(-c2ccccc2)cc1-c1ccccc1)N1CCc2nc(-c3ccccc3)[nH]c(=O)c2C1
InChIInChI=1S/C30H25N5O2/c36-28(34-17-16-25-24(19-34)30(37)32-29(31-25)23-14-8-3-9-15-23)20-35-27(22-12-6-2-7-13-22)18-26(33-35)21-10-4-1-5-11-21/h1-15,18H,16-17,19-20H2,(H,31,32,37)
InChIKeyWVFYMXUABCBNIF-UHFFFAOYSA-N
MW487.56 g/mol
LogP4.55
Rot. Bonds5

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

6-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 136627835) has the molecular formula C30H25N5O2 and a molecular weight of 487.56 g/mol. Its IUPAC name is 6-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID136627835
Molecular FormulaC30H25N5O2
Molecular Weight487.56 g/mol
Exact Mass487.20
IUPAC Name6-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=C(Cn1nc(-c2ccccc2)cc1-c1ccccc1)N1CCc2nc(-c3ccccc3)[nH]c(=O)c2C1
InChIInChI=1S/C30H25N5O2/c36-28(34-17-16-25-24(19-34)30(37)32-29(31-25)23-14-8-3-9-15-23)20-35-27(22-12-6-2-7-13-22)18-26(33-35)21-10-4-1-5-11-21/h1-15,18H,16-17,19-20H2,(H,31,32,37)
InChIKeyWVFYMXUABCBNIF-UHFFFAOYSA-N
XLogP4.55
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.56
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-acetyl-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135478590
2-(4-methylphenyl)-6-(2-phenylmethoxyacetyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135538481
4-(4-oxo-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carbonyl)benzamide
CID 155539033
6-(3-phenylpropanoyl)-2-pyrazin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136678859
2-(3,4-difluorophenyl)-6-propanoyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135479168
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
5-[(4-oxo-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-carboxylic acid
CID 135861438
6-[(2,5-dihydroxyphenyl)methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135917151
2-(2-oxo-2-pyrrolidin-1-ylethyl)-6-phenylpyridazin-3-one
CID 7659647
6-benzyl-2-(4-chlorophenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 137091053
2-(4-fluorophenyl)-6-(naphthalene-1-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135956323

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 136627835) is 6-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is O=C(Cn1nc(-c2ccccc2)cc1-c1ccccc1)N1CCc2nc(-c3ccccc3)[nH]c(=O)c2C1.
What is the InChIKey of 6-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is WVFYMXUABCBNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N5O2/c36-28(34-17-16-25-24(19-34)30(37)32-29(31-25)23-14-8-3-9-15-23)20-35-27(22-12-6-2-7-13-22)18-26(33-35)21-10-4-1-5-11-21/h1-15,18H,16-17,19-20H2,(H,31,32,37).
What are the key properties of 6-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 487.56 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136627835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).