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

C23H31N5O2 — CID 92622452

About 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

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 (PubChem CID 92622452) has the molecular formula C23H31N5O2 and a molecular weight of 409.53 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 92622452
• Molecular Formula: C23H31N5O2
• Molecular Weight: 409.53 g/mol
• Exact Mass: 409.25
• IUPAC Name: 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
• SMILES: COCC(=O)N1CCC[C@H](c2nc(C)c3c(n2)N(CCc2ccccn2)CCC3)C1
• InChI: InChI=1S/C23H31N5O2/c1-17-20-9-6-12-27(14-10-19-8-3-4-11-24-19)23(20)26-22(25-17)18-7-5-13-28(15-18)21(29)16-30-2/h3-4,8,11,18H,5-7,9-10,12-16H2,1-2H3/t18-/m0/s1
• InChIKey: DMHFIHDBURPIFT-SFHVURJKSA-N
• XLogP: 2.53
• TPSA: 71.45 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.53
LogP ≤ 5	2.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is COCC(=O)N1CCC[C@H](c2nc(C)c3c(n2)N(CCc2ccccn2)CCC3)C1.

What is the InChIKey of 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?

The InChIKey is DMHFIHDBURPIFT-SFHVURJKSA-N. The full InChI is InChI=1S/C23H31N5O2/c1-17-20-9-6-12-27(14-10-19-8-3-4-11-24-19)23(20)26-22(25-17)18-7-5-13-28(15-18)21(29)16-30-2/h3-4,8,11,18H,5-7,9-10,12-16H2,1-2H3/t18-/m0/s1.

What are the key properties of 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?

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 has a molecular weight of 409.53 g/mol, XLogP of 2.53, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 92622452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).