2-(4-aminophenyl)-6-[(5-methoxy-1-methylindol-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C24H25N5O2 — CID 135943095

About 2-(4-aminophenyl)-6-[(5-methoxy-1-methylindol-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

2-(4-aminophenyl)-6-[(5-methoxy-1-methylindol-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135943095) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 2-(4-aminophenyl)-6-[(5-methoxy-1-methylindol-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 2-(4-aminophenyl)-6-[(5-methoxy-1-methylindol-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• PubChem CID: 135943095
• Molecular Formula: C24H25N5O2
• Molecular Weight: 415.50 g/mol
• Exact Mass: 415.20
• IUPAC Name: 2-(4-aminophenyl)-6-[(5-methoxy-1-methylindol-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• SMILES: COc1ccc2c(c1)c(CN1CCc3nc(-c4ccc(N)cc4)[nH]c(=O)c3C1)cn2C
• InChI: InChI=1S/C24H25N5O2/c1-28-12-16(19-11-18(31-2)7-8-22(19)28)13-29-10-9-21-20(14-29)24(30)27-23(26-21)15-3-5-17(25)6-4-15/h3-8,11-12H,9-10,13-14,25H2,1-2H3,(H,26,27,30)
• InChIKey: SAIYXUOABRLINH-UHFFFAOYSA-N
• XLogP: 3.08
• TPSA: 89.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.50
LogP ≤ 5	3.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-6-[(5-methoxy-1-methylindol-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The IUPAC name of 2-(4-aminophenyl)-6-[(5-methoxy-1-methylindol-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135943095) is 2-(4-aminophenyl)-6-[(5-methoxy-1-methylindol-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

What is the SMILES notation for 2-(4-aminophenyl)-6-[(5-methoxy-1-methylindol-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The canonical SMILES for 2-(4-aminophenyl)-6-[(5-methoxy-1-methylindol-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is COc1ccc2c(c1)c(CN1CCc3nc(-c4ccc(N)cc4)[nH]c(=O)c3C1)cn2C.

What is the InChIKey of 2-(4-aminophenyl)-6-[(5-methoxy-1-methylindol-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The InChIKey is SAIYXUOABRLINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-28-12-16(19-11-18(31-2)7-8-22(19)28)13-29-10-9-21-20(14-29)24(30)27-23(26-21)15-3-5-17(25)6-4-15/h3-8,11-12H,9-10,13-14,25H2,1-2H3,(H,26,27,30).

What are the key properties of 2-(4-aminophenyl)-6-[(5-methoxy-1-methylindol-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

2-(4-aminophenyl)-6-[(5-methoxy-1-methylindol-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 415.50 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-aminophenyl)-6-[(5-methoxy-1-methylindol-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135943095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).