[(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

C26H30N6O — CID 92622599

IUPAC[(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
SMILESCc1cnc(C(=O)N2CCCC[C@H]2c2nc(C)c3c(n2)N(Cc2ccccc2)CCC3)cn1
InChIInChI=1S/C26H30N6O/c1-18-15-28-22(16-27-18)26(33)32-14-7-6-12-23(32)24-29-19(2)21-11-8-13-31(25(21)30-24)17-20-9-4-3-5-10-20/h3-5,9-10,15-16,23H,6-8,11-14,17H2,1-2H3/t23-/m0/s1
InChIKeySGKXJOQBBKIOPU-QHCPKHFHSA-N
MW442.57 g/mol
LogP4.20
Rot. Bonds4

About [(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

[(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 (PubChem CID 92622599) has the molecular formula C26H30N6O and a molecular weight of 442.57 g/mol. Its IUPAC name is [(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.

Molecular Properties

Compound Name[(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
PubChem CID92622599
Molecular FormulaC26H30N6O
Molecular Weight442.57 g/mol
Exact Mass442.25
IUPAC Name[(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
SMILESCc1cnc(C(=O)N2CCCC[C@H]2c2nc(C)c3c(n2)N(Cc2ccccc2)CCC3)cn1
InChIInChI=1S/C26H30N6O/c1-18-15-28-22(16-27-18)26(33)32-14-7-6-12-23(32)24-29-19(2)21-11-8-13-31(25(21)30-24)17-20-9-4-3-5-10-20/h3-5,9-10,15-16,23H,6-8,11-14,17H2,1-2H3/t23-/m0/s1
InChIKeySGKXJOQBBKIOPU-QHCPKHFHSA-N
XLogP4.20
TPSA75.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.57
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(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 with MolForge

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Related Compounds

[(2R)-2-[8-(cyclohexylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 95833724
[(2S)-2-[8-[(4-fluorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 95833764
[(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
[(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
[(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
[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
8-benzyl-2-[(2R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine
CID 92622054
8-benzyl-2-[1-(cyclohexanecarbonyl)piperidin-2-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110268510
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
2-methoxy-1-[2-[4-methyl-8-(pyridin-2-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 110263207
(1,3-dimethylpyrazol-4-yl)-[(2R)-2-[8-[(4-fluorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]methanone
CID 95833014
1-[2-[8-[(3-fluorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-3-methoxypropan-1-one
CID 110263218

Frequently Asked Questions

What is the IUPAC name of [(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?
The IUPAC name of [(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) is [(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.
What is the SMILES notation for [(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?
The canonical SMILES for [(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 is Cc1cnc(C(=O)N2CCCC[C@H]2c2nc(C)c3c(n2)N(Cc2ccccc2)CCC3)cn1.
What is the InChIKey of [(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?
The InChIKey is SGKXJOQBBKIOPU-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H30N6O/c1-18-15-28-22(16-27-18)26(33)32-14-7-6-12-23(32)24-29-19(2)21-11-8-13-31(25(21)30-24)17-20-9-4-3-5-10-20/h3-5,9-10,15-16,23H,6-8,11-14,17H2,1-2H3/t23-/m0/s1.
What are the key properties of [(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?
[(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 has a molecular weight of 442.57 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(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 is sourced from PubChem (CID 92622599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).