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

C26H30N6O — CID 110263466

IUPAC[3-[4-methyl-8-(2-phenylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESCc1nc(C2CCCN(C(=O)c3cnccn3)C2)nc2c1CCCN2CCc1ccccc1
InChIInChI=1S/C26H30N6O/c1-19-22-10-6-14-31(16-11-20-7-3-2-4-8-20)25(22)30-24(29-19)21-9-5-15-32(18-21)26(33)23-17-27-12-13-28-23/h2-4,7-8,12-13,17,21H,5-6,9-11,14-16,18H2,1H3
InChIKeyXKFQPFAXIWXQAF-UHFFFAOYSA-N
MW442.57 g/mol
LogP3.59
Rot. Bonds5

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

[3-[4-methyl-8-(2-phenylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone (PubChem CID 110263466) has the molecular formula C26H30N6O and a molecular weight of 442.57 g/mol. Its IUPAC name is [3-[4-methyl-8-(2-phenylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[3-[4-methyl-8-(2-phenylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
PubChem CID110263466
Molecular FormulaC26H30N6O
Molecular Weight442.57 g/mol
Exact Mass442.25
IUPAC Name[3-[4-methyl-8-(2-phenylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESCc1nc(C2CCCN(C(=O)c3cnccn3)C2)nc2c1CCCN2CCc1ccccc1
InChIInChI=1S/C26H30N6O/c1-19-22-10-6-14-31(16-11-20-7-3-2-4-8-20)25(22)30-24(29-19)21-9-5-15-32(18-21)26(33)23-17-27-12-13-28-23/h2-4,7-8,12-13,17,21H,5-6,9-11,14-16,18H2,1H3
InChIKeyXKFQPFAXIWXQAF-UHFFFAOYSA-N
XLogP3.59
TPSA75.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.57
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

[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
N-[2-[3-[4-methyl-8-(2-phenylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide
CID 110263424
2-methoxy-1-[3-[4-methyl-8-(2-phenylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 110263441
7-benzyl-4-methyl-2-[(3R)-1-(pyrazine-2-carbonyl)piperidin-3-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 92631494
[(3S)-3-(8-benzyl-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone
CID 92622699
cyclobutyl-[(3S)-3-[4-methyl-8-(2-pyridin-2-ylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]methanone
CID 92622846
cyclobutyl-[3-[4-methyl-8-(2-pyridin-2-ylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]methanone
CID 110268619
cyclohexyl-[(3R)-3-[4-methyl-8-(2-pyridin-2-ylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]methanone
CID 92622488
[(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
2-methoxy-1-[(3S)-3-[4-methyl-8-(2-pyridin-2-ylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 92622452
7-[(4-fluorophenyl)methyl]-4-methyl-2-[(3R)-1-(pyrazine-2-carbonyl)piperidin-3-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 92631492
2-[(3S)-1-(2,2-dimethylpropanoyl)piperidin-3-yl]-4-methyl-8-(3-phenylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92629265

Frequently Asked Questions

What is the IUPAC name of [3-[4-methyl-8-(2-phenylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [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) is [3-[4-methyl-8-(2-phenylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [3-[4-methyl-8-(2-phenylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [3-[4-methyl-8-(2-phenylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone is Cc1nc(C2CCCN(C(=O)c3cnccn3)C2)nc2c1CCCN2CCc1ccccc1.
What is the InChIKey of [3-[4-methyl-8-(2-phenylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone?
The InChIKey is XKFQPFAXIWXQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O/c1-19-22-10-6-14-31(16-11-20-7-3-2-4-8-20)25(22)30-24(29-19)21-9-5-15-32(18-21)26(33)23-17-27-12-13-28-23/h2-4,7-8,12-13,17,21H,5-6,9-11,14-16,18H2,1H3.
What are the key properties of [3-[4-methyl-8-(2-phenylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone?
[3-[4-methyl-8-(2-phenylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone has a molecular weight of 442.57 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-methyl-8-(2-phenylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 110263466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).