2-(1-phenylcyclopropyl)-6-[(2R)-2-phenylpropanoyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C25H25N3O2 — CID 157027437

IUPAC2-(1-phenylcyclopropyl)-6-[(2R)-2-phenylpropanoyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESC[C@@H](C(=O)N1CCc2nc(C3(c4ccccc4)CC3)[nH]c(=O)c2C1)c1ccccc1
InChIInChI=1S/C25H25N3O2/c1-17(18-8-4-2-5-9-18)23(30)28-15-12-21-20(16-28)22(29)27-24(26-21)25(13-14-25)19-10-6-3-7-11-19/h2-11,17H,12-16H2,1H3,(H,26,27,29)/t17-/m1/s1
InChIKeyLFVYDQYRKRRLNP-QGZVFWFLSA-N
MW399.49 g/mol
LogP3.54
Rot. Bonds4

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

2-(1-phenylcyclopropyl)-6-[(2R)-2-phenylpropanoyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 157027437) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is 2-(1-phenylcyclopropyl)-6-[(2R)-2-phenylpropanoyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(1-phenylcyclopropyl)-6-[(2R)-2-phenylpropanoyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID157027437
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC Name2-(1-phenylcyclopropyl)-6-[(2R)-2-phenylpropanoyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESC[C@@H](C(=O)N1CCc2nc(C3(c4ccccc4)CC3)[nH]c(=O)c2C1)c1ccccc1
InChIInChI=1S/C25H25N3O2/c1-17(18-8-4-2-5-9-18)23(30)28-15-12-21-20(16-28)22(29)27-24(26-21)25(13-14-25)19-10-6-3-7-11-19/h2-11,17H,12-16H2,1H3,(H,26,27,29)/t17-/m1/s1
InChIKeyLFVYDQYRKRRLNP-QGZVFWFLSA-N
XLogP3.54
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[2-(4-fluorophenyl)propanoyl]-2-(1-phenylcyclopropyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 157027944
3-[1-hydroxy-2-oxo-2-[4-oxo-2-(1-phenylcyclopropyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl]ethyl]benzonitrile
CID 157028112
6-[(2R)-2-hydroxy-2-[3-(3-propan-2-yloxyphenyl)phenyl]acetyl]-2-(1-phenylcyclopropyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 157027514
6-[2-(6-chloro-2-pyridinyl)-2-hydroxyacetyl]-2-(1-phenylcyclopropyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 157028229
6-[(2R)-2-(3-bromophenyl)-2-hydroxyacetyl]-2-(1-phenylcyclopropyl)-5,7,8,9-tetrahydro-3H-pyrimido[5,4-c]azepin-4-one
CID 157027527
6-[2-hydroxy-3-(2-methylphenoxy)propanoyl]-2-(1-phenylcyclopropyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 157027903
6-[2-[3-[4-(difluoromethyl)phenyl]phenyl]-2-hydroxyacetyl]-2-(1-phenylcyclopropyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 157027858
6-[(2R)-2-(3-chlorophenyl)-2-hydroxyacetyl]-2-[1-(4-phenylphenyl)cyclopropyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 157028093
6-[2-[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]-2-hydroxyacetyl]-2-(1-phenylcyclopropyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 157027916
6-[2-[3-(2,5-difluorophenyl)phenyl]-2-hydroxyacetyl]-2-(1-phenylcyclopropyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 157027380
6-[(2R)-2-[3-(3-chloro-5-fluorophenyl)phenyl]-2-hydroxyacetyl]-2-(1-phenylcyclopropyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 157028070
6-[2-hydroxy-2-[3-[3-(trifluoromethylsulfanyl)phenyl]phenyl]acetyl]-2-(1-phenylcyclopropyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 157028090

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylcyclopropyl)-6-[(2R)-2-phenylpropanoyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-(1-phenylcyclopropyl)-6-[(2R)-2-phenylpropanoyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 157027437) is 2-(1-phenylcyclopropyl)-6-[(2R)-2-phenylpropanoyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(1-phenylcyclopropyl)-6-[(2R)-2-phenylpropanoyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(1-phenylcyclopropyl)-6-[(2R)-2-phenylpropanoyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is C[C@@H](C(=O)N1CCc2nc(C3(c4ccccc4)CC3)[nH]c(=O)c2C1)c1ccccc1.
What is the InChIKey of 2-(1-phenylcyclopropyl)-6-[(2R)-2-phenylpropanoyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is LFVYDQYRKRRLNP-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H25N3O2/c1-17(18-8-4-2-5-9-18)23(30)28-15-12-21-20(16-28)22(29)27-24(26-21)25(13-14-25)19-10-6-3-7-11-19/h2-11,17H,12-16H2,1H3,(H,26,27,29)/t17-/m1/s1.
What are the key properties of 2-(1-phenylcyclopropyl)-6-[(2R)-2-phenylpropanoyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
2-(1-phenylcyclopropyl)-6-[(2R)-2-phenylpropanoyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 399.49 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylcyclopropyl)-6-[(2R)-2-phenylpropanoyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 157027437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).