[(2R)-2-[4-methyl-8-(2-phenylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone

C27H31N5O — CID 92636318

IUPAC[(2R)-2-[4-methyl-8-(2-phenylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
SMILESCc1nc([C@H]2CCCCN2C(=O)c2cccnc2)nc2c1CCCN2CCc1ccccc1
InChIInChI=1S/C27H31N5O/c1-20-23-12-8-16-31(18-14-21-9-3-2-4-10-21)26(23)30-25(29-20)24-13-5-6-17-32(24)27(33)22-11-7-15-28-19-22/h2-4,7,9-11,15,19,24H,5-6,8,12-14,16-18H2,1H3/t24-/m1/s1
InChIKeyPAVSVKRINAPFSR-XMMPIXPASA-N
MW441.58 g/mol
LogP4.54
Rot. Bonds5

About [(2R)-2-[4-methyl-8-(2-phenylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone

[(2R)-2-[4-methyl-8-(2-phenylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone (PubChem CID 92636318) has the molecular formula C27H31N5O and a molecular weight of 441.58 g/mol. Its IUPAC name is [(2R)-2-[4-methyl-8-(2-phenylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[(2R)-2-[4-methyl-8-(2-phenylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
PubChem CID92636318
Molecular FormulaC27H31N5O
Molecular Weight441.58 g/mol
Exact Mass441.25
IUPAC Name[(2R)-2-[4-methyl-8-(2-phenylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
SMILESCc1nc([C@H]2CCCCN2C(=O)c2cccnc2)nc2c1CCCN2CCc1ccccc1
InChIInChI=1S/C27H31N5O/c1-20-23-12-8-16-31(18-14-21-9-3-2-4-10-21)26(23)30-25(29-20)24-13-5-6-17-32(24)27(33)22-11-7-15-28-19-22/h2-4,7,9-11,15,19,24H,5-6,8,12-14,16-18H2,1H3/t24-/m1/s1
InChIKeyPAVSVKRINAPFSR-XMMPIXPASA-N
XLogP4.54
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.58
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(2R)-2-[4-methyl-8-(2-phenylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone 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

N-[2-[(2R)-2-[4-methyl-8-(2-phenylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide
CID 92622189
[(2S)-2-(8-benzyl-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 92622599
[(2R)-2-[8-[(3-fluorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 92622098
4-methyl-2-[(2S)-1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92630368
[2-[8-[(3-fluorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 110268597
[3-[4-methyl-8-(2-phenylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 110263466
[3-[4-methyl-8-(2-phenylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 110268592
[(2S)-2-[8-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 92622534
8-[(4-fluorophenyl)methyl]-4-methyl-2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110267500
4-methyl-8-(2-phenylethyl)-2-[(2R)-1-propanoylpiperidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92629786
[2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 110270750
1-[(2S)-2-[8-[2-(2-methoxyphenyl)ethyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95833060

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[4-methyl-8-(2-phenylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [(2R)-2-[4-methyl-8-(2-phenylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone (CID 92636318) is [(2R)-2-[4-methyl-8-(2-phenylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [(2R)-2-[4-methyl-8-(2-phenylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [(2R)-2-[4-methyl-8-(2-phenylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone is Cc1nc([C@H]2CCCCN2C(=O)c2cccnc2)nc2c1CCCN2CCc1ccccc1.
What is the InChIKey of [(2R)-2-[4-methyl-8-(2-phenylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is PAVSVKRINAPFSR-XMMPIXPASA-N. The full InChI is InChI=1S/C27H31N5O/c1-20-23-12-8-16-31(18-14-21-9-3-2-4-10-21)26(23)30-25(29-20)24-13-5-6-17-32(24)27(33)22-11-7-15-28-19-22/h2-4,7,9-11,15,19,24H,5-6,8,12-14,16-18H2,1H3/t24-/m1/s1.
What are the key properties of [(2R)-2-[4-methyl-8-(2-phenylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone?
[(2R)-2-[4-methyl-8-(2-phenylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 441.58 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[4-methyl-8-(2-phenylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 92636318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).