6-[2-[5-(3-chlorophenyl)-3-pyridinyl]-2-hydroxyacetyl]-2-(1-phenylcyclopropyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C29H25ClN4O3 — CID 157027305

IUPAC6-[2-[5-(3-chlorophenyl)-3-pyridinyl]-2-hydroxyacetyl]-2-(1-phenylcyclopropyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=C(C(O)c1cncc(-c2cccc(Cl)c2)c1)N1CCc2nc(C3(c4ccccc4)CC3)[nH]c(=O)c2C1
InChIInChI=1S/C29H25ClN4O3/c30-22-8-4-5-18(14-22)19-13-20(16-31-15-19)25(35)27(37)34-12-9-24-23(17-34)26(36)33-28(32-24)29(10-11-29)21-6-2-1-3-7-21/h1-8,13-16,25,35H,9-12,17H2,(H,32,33,36)
InChIKeyOBHPFTCXGXLAGL-UHFFFAOYSA-N
MW513.00 g/mol
LogP4.18
Rot. Bonds5

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

6-[2-[5-(3-chlorophenyl)-3-pyridinyl]-2-hydroxyacetyl]-2-(1-phenylcyclopropyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 157027305) has the molecular formula C29H25ClN4O3 and a molecular weight of 513.00 g/mol. Its IUPAC name is 6-[2-[5-(3-chlorophenyl)-3-pyridinyl]-2-hydroxyacetyl]-2-(1-phenylcyclopropyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[2-[5-(3-chlorophenyl)-3-pyridinyl]-2-hydroxyacetyl]-2-(1-phenylcyclopropyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID157027305
Molecular FormulaC29H25ClN4O3
Molecular Weight513.00 g/mol
Exact Mass512.16
IUPAC Name6-[2-[5-(3-chlorophenyl)-3-pyridinyl]-2-hydroxyacetyl]-2-(1-phenylcyclopropyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=C(C(O)c1cncc(-c2cccc(Cl)c2)c1)N1CCc2nc(C3(c4ccccc4)CC3)[nH]c(=O)c2C1
InChIInChI=1S/C29H25ClN4O3/c30-22-8-4-5-18(14-22)19-13-20(16-31-15-19)25(35)27(37)34-12-9-24-23(17-34)26(36)33-28(32-24)29(10-11-29)21-6-2-1-3-7-21/h1-8,13-16,25,35H,9-12,17H2,(H,32,33,36)
InChIKeyOBHPFTCXGXLAGL-UHFFFAOYSA-N
XLogP4.18
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.00
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[2-[5-(3-chlorophenyl)-3-pyridinyl]-2-hydroxyacetyl]-2-(1-phenylcyclopropyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[2-[5-(3-chlorophenyl)-3-pyridinyl]-2-hydroxyacetyl]-2-(1-phenylcyclopropyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-[2-[5-(3-chlorophenyl)-3-pyridinyl]-2-hydroxyacetyl]-2-(1-phenylcyclopropyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 157027305) is 6-[2-[5-(3-chlorophenyl)-3-pyridinyl]-2-hydroxyacetyl]-2-(1-phenylcyclopropyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-[2-[5-(3-chlorophenyl)-3-pyridinyl]-2-hydroxyacetyl]-2-(1-phenylcyclopropyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-[2-[5-(3-chlorophenyl)-3-pyridinyl]-2-hydroxyacetyl]-2-(1-phenylcyclopropyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is O=C(C(O)c1cncc(-c2cccc(Cl)c2)c1)N1CCc2nc(C3(c4ccccc4)CC3)[nH]c(=O)c2C1.
What is the InChIKey of 6-[2-[5-(3-chlorophenyl)-3-pyridinyl]-2-hydroxyacetyl]-2-(1-phenylcyclopropyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is OBHPFTCXGXLAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25ClN4O3/c30-22-8-4-5-18(14-22)19-13-20(16-31-15-19)25(35)27(37)34-12-9-24-23(17-34)26(36)33-28(32-24)29(10-11-29)21-6-2-1-3-7-21/h1-8,13-16,25,35H,9-12,17H2,(H,32,33,36).
What are the key properties of 6-[2-[5-(3-chlorophenyl)-3-pyridinyl]-2-hydroxyacetyl]-2-(1-phenylcyclopropyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-[2-[5-(3-chlorophenyl)-3-pyridinyl]-2-hydroxyacetyl]-2-(1-phenylcyclopropyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 513.00 g/mol, XLogP of 4.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[5-(3-chlorophenyl)-3-pyridinyl]-2-hydroxyacetyl]-2-(1-phenylcyclopropyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 157027305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).