8-[(3-chloro-4-methoxyphenyl)methyl]-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-5-pyridin-2-ylpyrido[2,3-d]pyrimidin-7-one

C25H24ClN5O3 — CID 10299334

About 8-[(3-chloro-4-methoxyphenyl)methyl]-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-5-pyridin-2-ylpyrido[2,3-d]pyrimidin-7-one

8-[(3-chloro-4-methoxyphenyl)methyl]-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-5-pyridin-2-ylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 10299334) has the molecular formula C25H24ClN5O3 and a molecular weight of 477.95 g/mol. Its IUPAC name is 8-[(3-chloro-4-methoxyphenyl)methyl]-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-5-pyridin-2-ylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 8-[(3-chloro-4-methoxyphenyl)methyl]-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-5-pyridin-2-ylpyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 10299334
• Molecular Formula: C25H24ClN5O3
• Molecular Weight: 477.95 g/mol
• Exact Mass: 477.16
• IUPAC Name: 8-[(3-chloro-4-methoxyphenyl)methyl]-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-5-pyridin-2-ylpyrido[2,3-d]pyrimidin-7-one
• SMILES: COc1ccc(Cn2c(=O)cc(-c3ccccn3)c3cnc(N4CCC[C@H]4CO)nc32)cc1Cl
• InChI: InChI=1S/C25H24ClN5O3/c1-34-22-8-7-16(11-20(22)26)14-31-23(33)12-18(21-6-2-3-9-27-21)19-13-28-25(29-24(19)31)30-10-4-5-17(30)15-32/h2-3,6-9,11-13,17,32H,4-5,10,14-15H2,1H3/t17-/m0/s1
• InChIKey: MKENMLADARUDLW-KRWDZBQOSA-N
• XLogP: 3.52
• TPSA: 93.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.95
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 8-[(3-chloro-4-methoxyphenyl)methyl]-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-5-pyridin-2-ylpyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 8-[(3-chloro-4-methoxyphenyl)methyl]-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-5-pyridin-2-ylpyrido[2,3-d]pyrimidin-7-one (CID 10299334) is 8-[(3-chloro-4-methoxyphenyl)methyl]-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-5-pyridin-2-ylpyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 8-[(3-chloro-4-methoxyphenyl)methyl]-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-5-pyridin-2-ylpyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 8-[(3-chloro-4-methoxyphenyl)methyl]-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-5-pyridin-2-ylpyrido[2,3-d]pyrimidin-7-one is COc1ccc(Cn2c(=O)cc(-c3ccccn3)c3cnc(N4CCC[C@H]4CO)nc32)cc1Cl.

What is the InChIKey of 8-[(3-chloro-4-methoxyphenyl)methyl]-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-5-pyridin-2-ylpyrido[2,3-d]pyrimidin-7-one?

The InChIKey is MKENMLADARUDLW-KRWDZBQOSA-N. The full InChI is InChI=1S/C25H24ClN5O3/c1-34-22-8-7-16(11-20(22)26)14-31-23(33)12-18(21-6-2-3-9-27-21)19-13-28-25(29-24(19)31)30-10-4-5-17(30)15-32/h2-3,6-9,11-13,17,32H,4-5,10,14-15H2,1H3/t17-/m0/s1.

What are the key properties of 8-[(3-chloro-4-methoxyphenyl)methyl]-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-5-pyridin-2-ylpyrido[2,3-d]pyrimidin-7-one?

8-[(3-chloro-4-methoxyphenyl)methyl]-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-5-pyridin-2-ylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 477.95 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[(3-chloro-4-methoxyphenyl)methyl]-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-5-pyridin-2-ylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 10299334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).