1-(6-benzyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidin-3-ol

C24H27N5O — CID 127039611

IUPAC1-(6-benzyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidin-3-ol
SMILESOC1CCCN(c2nc(-c3ccccn3)nc3c2CN(Cc2ccccc2)CC3)C1
InChIInChI=1S/C24H27N5O/c30-19-9-6-13-29(16-19)24-20-17-28(15-18-7-2-1-3-8-18)14-11-21(20)26-23(27-24)22-10-4-5-12-25-22/h1-5,7-8,10,12,19,30H,6,9,11,13-17H2
InChIKeyOAWCVNZQLRBLAB-UHFFFAOYSA-N
MW401.51 g/mol
LogP3.06
Rot. Bonds4

About 1-(6-benzyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidin-3-ol

1-(6-benzyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidin-3-ol (PubChem CID 127039611) has the molecular formula C24H27N5O and a molecular weight of 401.51 g/mol. Its IUPAC name is 1-(6-benzyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidin-3-ol.

Molecular Properties

Compound Name1-(6-benzyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidin-3-ol
PubChem CID127039611
Molecular FormulaC24H27N5O
Molecular Weight401.51 g/mol
Exact Mass401.22
IUPAC Name1-(6-benzyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidin-3-ol
SMILESOC1CCCN(c2nc(-c3ccccn3)nc3c2CN(Cc2ccccc2)CC3)C1
InChIInChI=1S/C24H27N5O/c30-19-9-6-13-29(16-19)24-20-17-28(15-18-7-2-1-3-8-18)14-11-21(20)26-23(27-24)22-10-4-5-12-25-22/h1-5,7-8,10,12,19,30H,6,9,11,13-17H2
InChIKeyOAWCVNZQLRBLAB-UHFFFAOYSA-N
XLogP3.06
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(6-benzyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidin-3-ol 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 1-(6-benzyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidin-3-ol?
The IUPAC name of 1-(6-benzyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidin-3-ol (CID 127039611) is 1-(6-benzyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidin-3-ol.
What is the SMILES notation for 1-(6-benzyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidin-3-ol?
The canonical SMILES for 1-(6-benzyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidin-3-ol is OC1CCCN(c2nc(-c3ccccn3)nc3c2CN(Cc2ccccc2)CC3)C1.
What is the InChIKey of 1-(6-benzyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidin-3-ol?
The InChIKey is OAWCVNZQLRBLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O/c30-19-9-6-13-29(16-19)24-20-17-28(15-18-7-2-1-3-8-18)14-11-21(20)26-23(27-24)22-10-4-5-12-25-22/h1-5,7-8,10,12,19,30H,6,9,11,13-17H2.
What are the key properties of 1-(6-benzyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidin-3-ol?
1-(6-benzyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidin-3-ol has a molecular weight of 401.51 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-benzyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidin-3-ol is sourced from PubChem (CID 127039611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).