(5R)-1-(6,7-diphenylpyrido[3,2-d]pyrimidin-2-yl)-5-hydroxyheptan-2-one

C26H25N3O2 — CID 167606361

IUPAC(5R)-1-(6,7-diphenylpyrido[3,2-d]pyrimidin-2-yl)-5-hydroxyheptan-2-one
SMILESCC[C@@H](O)CCC(=O)Cc1ncc2nc(-c3ccccc3)c(-c3ccccc3)cc2n1
InChIInChI=1S/C26H25N3O2/c1-2-20(30)13-14-21(31)15-25-27-17-24-23(28-25)16-22(18-9-5-3-6-10-18)26(29-24)19-11-7-4-8-12-19/h3-12,16-17,20,30H,2,13-15H2,1H3/t20-/m1/s1
InChIKeyKKZPUGJSAFKXNL-HXUWFJFHSA-N
MW411.51 g/mol
LogP5.02
Rot. Bonds8

About (5R)-1-(6,7-diphenylpyrido[3,2-d]pyrimidin-2-yl)-5-hydroxyheptan-2-one

(5R)-1-(6,7-diphenylpyrido[3,2-d]pyrimidin-2-yl)-5-hydroxyheptan-2-one (PubChem CID 167606361) has the molecular formula C26H25N3O2 and a molecular weight of 411.51 g/mol. Its IUPAC name is (5R)-1-(6,7-diphenylpyrido[3,2-d]pyrimidin-2-yl)-5-hydroxyheptan-2-one.

Molecular Properties

Compound Name(5R)-1-(6,7-diphenylpyrido[3,2-d]pyrimidin-2-yl)-5-hydroxyheptan-2-one
PubChem CID167606361
Molecular FormulaC26H25N3O2
Molecular Weight411.51 g/mol
Exact Mass411.19
IUPAC Name(5R)-1-(6,7-diphenylpyrido[3,2-d]pyrimidin-2-yl)-5-hydroxyheptan-2-one
SMILESCC[C@@H](O)CCC(=O)Cc1ncc2nc(-c3ccccc3)c(-c3ccccc3)cc2n1
InChIInChI=1S/C26H25N3O2/c1-2-20(30)13-14-21(31)15-25-27-17-24-23(28-25)16-22(18-9-5-3-6-10-18)26(29-24)19-11-7-4-8-12-19/h3-12,16-17,20,30H,2,13-15H2,1H3/t20-/m1/s1
InChIKeyKKZPUGJSAFKXNL-HXUWFJFHSA-N
XLogP5.02
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.51
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5R)-1-(6,7-diphenylpyrido[3,2-d]pyrimidin-2-yl)-5-hydroxyheptan-2-one with MolForge

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

Launch Full Analysis

Related Compounds

1-(2,3-diphenylquinolin-6-yl)-5-hydroxyheptan-2-one
CID 167696611
(5R)-5-hydroxy-1-(3-methyl-2-phenyl-4-propanoylquinolin-6-yl)heptan-2-one
CID 167685594
1-(6,7-diphenyl-1,5-naphthyridin-2-yl)-3-(2-hydroxybutyl)urea
CID 155589157
1-(2,3-diphenylquinolin-6-yl)-5,5-difluoroheptan-2-one
CID 167693810
methyl 2,3-diphenylquinoline-6-carboxylate
CID 154585293
2,3-diphenyl-N-propylquinoxaline-6-carboxamide
CID 3107662
(4R)-4-hydroxy-N-phenylhexanamide
CID 155936166
N-ethyl-2,3-diphenylquinoxaline-6-carboxamide
CID 5261756
1-(2,3-diphenylquinolin-6-yl)-3-(1-methylpyrrolidin-3-yl)propan-2-one
CID 167561104
6-hydroxyoctan-3-one
CID 15920952
N-(3-hydroxypentyl)-3-phenylfuran-2-carboxamide
CID 115703850
[4-[5-[4-(2-hydroxyethylcarbamoyl)phenyl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium
CID 58524736

Frequently Asked Questions

What is the IUPAC name of (5R)-1-(6,7-diphenylpyrido[3,2-d]pyrimidin-2-yl)-5-hydroxyheptan-2-one?
The IUPAC name of (5R)-1-(6,7-diphenylpyrido[3,2-d]pyrimidin-2-yl)-5-hydroxyheptan-2-one (CID 167606361) is (5R)-1-(6,7-diphenylpyrido[3,2-d]pyrimidin-2-yl)-5-hydroxyheptan-2-one.
What is the SMILES notation for (5R)-1-(6,7-diphenylpyrido[3,2-d]pyrimidin-2-yl)-5-hydroxyheptan-2-one?
The canonical SMILES for (5R)-1-(6,7-diphenylpyrido[3,2-d]pyrimidin-2-yl)-5-hydroxyheptan-2-one is CC[C@@H](O)CCC(=O)Cc1ncc2nc(-c3ccccc3)c(-c3ccccc3)cc2n1.
What is the InChIKey of (5R)-1-(6,7-diphenylpyrido[3,2-d]pyrimidin-2-yl)-5-hydroxyheptan-2-one?
The InChIKey is KKZPUGJSAFKXNL-HXUWFJFHSA-N. The full InChI is InChI=1S/C26H25N3O2/c1-2-20(30)13-14-21(31)15-25-27-17-24-23(28-25)16-22(18-9-5-3-6-10-18)26(29-24)19-11-7-4-8-12-19/h3-12,16-17,20,30H,2,13-15H2,1H3/t20-/m1/s1.
What are the key properties of (5R)-1-(6,7-diphenylpyrido[3,2-d]pyrimidin-2-yl)-5-hydroxyheptan-2-one?
(5R)-1-(6,7-diphenylpyrido[3,2-d]pyrimidin-2-yl)-5-hydroxyheptan-2-one has a molecular weight of 411.51 g/mol, XLogP of 5.02, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-(6,7-diphenylpyrido[3,2-d]pyrimidin-2-yl)-5-hydroxyheptan-2-one is sourced from PubChem (CID 167606361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).