5-[(3R)-3-hydroxypyrrolidin-1-yl]-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one

C22H25N5O3 — CID 66959331

About 5-[(3R)-3-hydroxypyrrolidin-1-yl]-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one

5-[(3R)-3-hydroxypyrrolidin-1-yl]-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one (PubChem CID 66959331) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is 5-[(3R)-3-hydroxypyrrolidin-1-yl]-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 5-[(3R)-3-hydroxypyrrolidin-1-yl]-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one
• PubChem CID: 66959331
• Molecular Formula: C22H25N5O3
• Molecular Weight: 407.47 g/mol
• Exact Mass: 407.20
• IUPAC Name: 5-[(3R)-3-hydroxypyrrolidin-1-yl]-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one
• SMILES: Cn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(N3CC[C@@H](O)C3)c2c1=O
• InChI: InChI=1S/C22H25N5O3/c1-25-14-23-19-12-18(15-2-4-16(5-3-15)26-8-10-30-11-9-26)24-21(20(19)22(25)29)27-7-6-17(28)13-27/h2-5,12,14,17,28H,6-11,13H2,1H3/t17-/m1/s1
• InChIKey: UBMITYICJIPIGW-QGZVFWFLSA-N
• XLogP: 1.40
• TPSA: 83.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.47
LogP ≤ 5	1.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-3-hydroxypyrrolidin-1-yl]-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one?

The IUPAC name of 5-[(3R)-3-hydroxypyrrolidin-1-yl]-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one (CID 66959331) is 5-[(3R)-3-hydroxypyrrolidin-1-yl]-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one.

What is the SMILES notation for 5-[(3R)-3-hydroxypyrrolidin-1-yl]-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one?

The canonical SMILES for 5-[(3R)-3-hydroxypyrrolidin-1-yl]-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one is Cn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(N3CC[C@@H](O)C3)c2c1=O.

What is the InChIKey of 5-[(3R)-3-hydroxypyrrolidin-1-yl]-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one?

The InChIKey is UBMITYICJIPIGW-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-25-14-23-19-12-18(15-2-4-16(5-3-15)26-8-10-30-11-9-26)24-21(20(19)22(25)29)27-7-6-17(28)13-27/h2-5,12,14,17,28H,6-11,13H2,1H3/t17-/m1/s1.

What are the key properties of 5-[(3R)-3-hydroxypyrrolidin-1-yl]-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one?

5-[(3R)-3-hydroxypyrrolidin-1-yl]-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 407.47 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(3R)-3-hydroxypyrrolidin-1-yl]-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 66959331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).