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

C23H30N4O2 — CID 95833060

About 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

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 (PubChem CID 95833060) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 95833060
• Molecular Formula: C23H30N4O2
• Molecular Weight: 394.52 g/mol
• Exact Mass: 394.24
• IUPAC Name: 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
• SMILES: COc1ccccc1CCN1CCCc2c(C)nc([C@@H]3CCCN3C(C)=O)nc21
• InChI: InChI=1S/C23H30N4O2/c1-16-19-9-6-13-26(15-12-18-8-4-5-11-21(18)29-3)23(19)25-22(24-16)20-10-7-14-27(20)17(2)28/h4-5,8,11,20H,6-7,9-10,12-15H2,1-3H3/t20-/m0/s1
• InChIKey: ZSFSISNTYDNWJZ-FQEVSTJZSA-N
• XLogP: 3.47
• TPSA: 58.56 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.52
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is COc1ccccc1CCN1CCCc2c(C)nc([C@@H]3CCCN3C(C)=O)nc21.

What is the InChIKey of 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?

The InChIKey is ZSFSISNTYDNWJZ-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-16-19-9-6-13-26(15-12-18-8-4-5-11-21(18)29-3)23(19)25-22(24-16)20-10-7-14-27(20)17(2)28/h4-5,8,11,20H,6-7,9-10,12-15H2,1-3H3/t20-/m0/s1.

What are the key properties of 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?

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 has a molecular weight of 394.52 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 95833060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).