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

C25H33N5O — CID 92622846

About 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

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 (PubChem CID 92622846) has the molecular formula C25H33N5O and a molecular weight of 419.57 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 92622846
• Molecular Formula: C25H33N5O
• Molecular Weight: 419.57 g/mol
• Exact Mass: 419.27
• IUPAC Name: 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
• SMILES: Cc1nc([C@H]2CCCN(C(=O)C3CCC3)C2)nc2c1CCCN2CCc1ccccn1
• InChI: InChI=1S/C25H33N5O/c1-18-22-11-6-14-29(16-12-21-10-2-3-13-26-21)24(22)28-23(27-18)20-9-5-15-30(17-20)25(31)19-7-4-8-19/h2-3,10,13,19-20H,4-9,11-12,14-17H2,1H3/t20-/m0/s1
• InChIKey: JAYFPMOCKGCCNK-FQEVSTJZSA-N
• XLogP: 3.68
• TPSA: 62.22 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.57
LogP ≤ 5	3.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is Cc1nc([C@H]2CCCN(C(=O)C3CCC3)C2)nc2c1CCCN2CCc1ccccn1.

What is the InChIKey of 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?

The InChIKey is JAYFPMOCKGCCNK-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H33N5O/c1-18-22-11-6-14-29(16-12-21-10-2-3-13-26-21)24(22)28-23(27-18)20-9-5-15-30(17-20)25(31)19-7-4-8-19/h2-3,10,13,19-20H,4-9,11-12,14-17H2,1H3/t20-/m0/s1.

What are the key properties of 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?

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 has a molecular weight of 419.57 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 92622846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).