8-benzyl-4-methyl-2-[(2R)-1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

C26H27N5O2 — CID 92618772

IUPAC8-benzyl-4-methyl-2-[(2R)-1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc([C@H]2CCCN2C(=O)Cc2ccccn2)nc2c1CCC(=O)N2Cc1ccccc1
InChIInChI=1S/C26H27N5O2/c1-18-21-12-13-23(32)31(17-19-8-3-2-4-9-19)26(21)29-25(28-18)22-11-7-15-30(22)24(33)16-20-10-5-6-14-27-20/h2-6,8-10,14,22H,7,11-13,15-17H2,1H3/t22-/m1/s1
InChIKeyAZFZHDPEJBSTLT-JOCHJYFZSA-N
MW441.54 g/mol
LogP3.57
Rot. Bonds5

About 8-benzyl-4-methyl-2-[(2R)-1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

8-benzyl-4-methyl-2-[(2R)-1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (PubChem CID 92618772) has the molecular formula C26H27N5O2 and a molecular weight of 441.54 g/mol. Its IUPAC name is 8-benzyl-4-methyl-2-[(2R)-1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-benzyl-4-methyl-2-[(2R)-1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
PubChem CID92618772
Molecular FormulaC26H27N5O2
Molecular Weight441.54 g/mol
Exact Mass441.22
IUPAC Name8-benzyl-4-methyl-2-[(2R)-1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc([C@H]2CCCN2C(=O)Cc2ccccn2)nc2c1CCC(=O)N2Cc1ccccc1
InChIInChI=1S/C26H27N5O2/c1-18-21-12-13-23(32)31(17-19-8-3-2-4-9-19)26(21)29-25(28-18)22-11-7-15-30(22)24(33)16-20-10-5-6-14-27-20/h2-6,8-10,14,22H,7,11-13,15-17H2,1H3/t22-/m1/s1
InChIKeyAZFZHDPEJBSTLT-JOCHJYFZSA-N
XLogP3.57
TPSA79.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-benzyl-4-methyl-2-[(2R)-1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-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

8-benzyl-4-methyl-2-[(2R)-1-(2-phenylacetyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92618762
8-benzyl-2-[1-(2-cyclopentylacetyl)pyrrolidin-2-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110260819
2-[(2S)-1-(3-methoxypropanoyl)piperidin-2-yl]-4-methyl-8-(pyridin-2-ylmethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92629984
8-benzyl-2-[1-(cyclohexanecarbonyl)piperidin-2-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110268510
2-[(2R)-1-benzylpiperidin-2-yl]-4-methyl-8-(pyridin-2-ylmethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92618628
4-methyl-2-[(2R)-1-(2-propan-2-yloxyacetyl)piperidin-2-yl]-8-(pyridin-2-ylmethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92630067
4-methyl-2-[(2S)-1-(2-propan-2-yloxyacetyl)piperidin-2-yl]-8-(pyridin-2-ylmethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92630068
4-methyl-8-(2-methylpropyl)-2-[(2R)-1-(4-pyridin-2-ylbutanoyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92630565
4-methyl-8-[(4-methylphenyl)methyl]-2-[(2S)-1-(2-pyrrolidin-1-ylacetyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92629925
4-methyl-2-[(2S)-1-(3-methylbutanoyl)pyrrolidin-2-yl]-8-(3-phenylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92630357
4-methyl-8-(2-phenylethyl)-2-[(2R)-1-propanoylpiperidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92629786
8-benzyl-4-methyl-2-[1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110260868

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-4-methyl-2-[(2R)-1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-benzyl-4-methyl-2-[(2R)-1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (CID 92618772) is 8-benzyl-4-methyl-2-[(2R)-1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-benzyl-4-methyl-2-[(2R)-1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-benzyl-4-methyl-2-[(2R)-1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is Cc1nc([C@H]2CCCN2C(=O)Cc2ccccn2)nc2c1CCC(=O)N2Cc1ccccc1.
What is the InChIKey of 8-benzyl-4-methyl-2-[(2R)-1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The InChIKey is AZFZHDPEJBSTLT-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H27N5O2/c1-18-21-12-13-23(32)31(17-19-8-3-2-4-9-19)26(21)29-25(28-18)22-11-7-15-30(22)24(33)16-20-10-5-6-14-27-20/h2-6,8-10,14,22H,7,11-13,15-17H2,1H3/t22-/m1/s1.
What are the key properties of 8-benzyl-4-methyl-2-[(2R)-1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
8-benzyl-4-methyl-2-[(2R)-1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one has a molecular weight of 441.54 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-4-methyl-2-[(2R)-1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 92618772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).