6-benzyl-2-methyl-3-(1-phenylpentyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one

C26H31N3O — CID 59314692

IUPAC6-benzyl-2-methyl-3-(1-phenylpentyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one
SMILESCCCCC(c1ccccc1)n1c(C)nc2c(c1=O)CN(Cc1ccccc1)CC2
InChIInChI=1S/C26H31N3O/c1-3-4-15-25(22-13-9-6-10-14-22)29-20(2)27-24-16-17-28(19-23(24)26(29)30)18-21-11-7-5-8-12-21/h5-14,25H,3-4,15-19H2,1-2H3
InChIKeyZKIWIBDRJJKIBT-UHFFFAOYSA-N
MW401.55 g/mol
LogP4.89
Rot. Bonds7

About 6-benzyl-2-methyl-3-(1-phenylpentyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one

6-benzyl-2-methyl-3-(1-phenylpentyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one (PubChem CID 59314692) has the molecular formula C26H31N3O and a molecular weight of 401.55 g/mol. Its IUPAC name is 6-benzyl-2-methyl-3-(1-phenylpentyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-benzyl-2-methyl-3-(1-phenylpentyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one
PubChem CID59314692
Molecular FormulaC26H31N3O
Molecular Weight401.55 g/mol
Exact Mass401.25
IUPAC Name6-benzyl-2-methyl-3-(1-phenylpentyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one
SMILESCCCCC(c1ccccc1)n1c(C)nc2c(c1=O)CN(Cc1ccccc1)CC2
InChIInChI=1S/C26H31N3O/c1-3-4-15-25(22-13-9-6-10-14-22)29-20(2)27-24-16-17-28(19-23(24)26(29)30)18-21-11-7-5-8-12-21/h5-14,25H,3-4,15-19H2,1-2H3
InChIKeyZKIWIBDRJJKIBT-UHFFFAOYSA-N
XLogP4.89
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.55
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-benzyl-2-methyl-3-(1-phenylpentyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one with MolForge

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Related Compounds

3-benzhydryl-2-methyl-6-[(4-pyridin-2-ylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one
CID 59314833
3-benzhydryl-2-methyl-6-[(4-pyrazol-1-ylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one
CID 59314681
3-benzhydryl-6-[(2,3-difluorophenyl)methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one
CID 25135090
3-benzhydryl-6-[(2,5-dichlorophenyl)methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one
CID 59314751
3-benzhydryl-2-methyl-6-[(4-methylnaphthalen-1-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one
CID 59314793
3-benzhydryl-2-methyl-6-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one
CID 59314916
2-methyl-3-(1-phenylpentyl)-7-[4,4,4-trifluoro-3-(trifluoromethyl)butanoyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
CID 25094910
3-benzhydryl-6-[[3-(1,1-difluoroethyl)-4-fluorophenyl]methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one
CID 162585272
3-benzhydryl-6-[(2-bromo-4-methylphenyl)methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one
CID 59314817
3-benzhydryl-6-[(2-fluoro-3-methoxyphenyl)methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one
CID 59314737
3-benzhydryl-6-benzyl-8-methoxy-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one
CID 59314671
2-(6-benzyl-4-oxo-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-ethyl-N-phenylacetamide
CID 53143476

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-2-methyl-3-(1-phenylpentyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-benzyl-2-methyl-3-(1-phenylpentyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one (CID 59314692) is 6-benzyl-2-methyl-3-(1-phenylpentyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-benzyl-2-methyl-3-(1-phenylpentyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-benzyl-2-methyl-3-(1-phenylpentyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one is CCCCC(c1ccccc1)n1c(C)nc2c(c1=O)CN(Cc1ccccc1)CC2.
What is the InChIKey of 6-benzyl-2-methyl-3-(1-phenylpentyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is ZKIWIBDRJJKIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O/c1-3-4-15-25(22-13-9-6-10-14-22)29-20(2)27-24-16-17-28(19-23(24)26(29)30)18-21-11-7-5-8-12-21/h5-14,25H,3-4,15-19H2,1-2H3.
What are the key properties of 6-benzyl-2-methyl-3-(1-phenylpentyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one?
6-benzyl-2-methyl-3-(1-phenylpentyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 401.55 g/mol, XLogP of 4.89, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-2-methyl-3-(1-phenylpentyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 59314692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).