5-(4-aminocyclohexyl)oxy-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one

C24H29N5O3 — CID 66959385

About 5-(4-aminocyclohexyl)oxy-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one

5-(4-aminocyclohexyl)oxy-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one (PubChem CID 66959385) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is 5-(4-aminocyclohexyl)oxy-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 5-(4-aminocyclohexyl)oxy-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one
• PubChem CID: 66959385
• Molecular Formula: C24H29N5O3
• Molecular Weight: 435.53 g/mol
• Exact Mass: 435.23
• IUPAC Name: 5-(4-aminocyclohexyl)oxy-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one
• SMILES: Cn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(OC3CCC(N)CC3)c2c1=O
• InChI: InChI=1S/C24H29N5O3/c1-28-15-26-21-14-20(16-2-6-18(7-3-16)29-10-12-31-13-11-29)27-23(22(21)24(28)30)32-19-8-4-17(25)5-9-19/h2-3,6-7,14-15,17,19H,4-5,8-13,25H2,1H3
• InChIKey: KNIOGDNFDYRXMD-UHFFFAOYSA-N
• XLogP: 2.48
• TPSA: 95.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.53
LogP ≤ 5	2.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 5-(4-aminocyclohexyl)oxy-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one (CID 66959385) is 5-(4-aminocyclohexyl)oxy-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one.

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

The canonical SMILES for 5-(4-aminocyclohexyl)oxy-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one is Cn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(OC3CCC(N)CC3)c2c1=O.

What is the InChIKey of 5-(4-aminocyclohexyl)oxy-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one?

The InChIKey is KNIOGDNFDYRXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3/c1-28-15-26-21-14-20(16-2-6-18(7-3-16)29-10-12-31-13-11-29)27-23(22(21)24(28)30)32-19-8-4-17(25)5-9-19/h2-3,6-7,14-15,17,19H,4-5,8-13,25H2,1H3.

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

5-(4-aminocyclohexyl)oxy-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 435.53 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-aminocyclohexyl)oxy-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 66959385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).