2-(4-chlorophenyl)-6-[(7-methyl-1H-indol-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C23H21ClN4O — CID 135861688

About 2-(4-chlorophenyl)-6-[(7-methyl-1H-indol-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

2-(4-chlorophenyl)-6-[(7-methyl-1H-indol-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135861688) has the molecular formula C23H21ClN4O and a molecular weight of 404.90 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-6-[(7-methyl-1H-indol-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 2-(4-chlorophenyl)-6-[(7-methyl-1H-indol-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• PubChem CID: 135861688
• Molecular Formula: C23H21ClN4O
• Molecular Weight: 404.90 g/mol
• Exact Mass: 404.14
• IUPAC Name: 2-(4-chlorophenyl)-6-[(7-methyl-1H-indol-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• SMILES: Cc1cccc2c(CN3CCc4nc(-c5ccc(Cl)cc5)[nH]c(=O)c4C3)c[nH]c12
• InChI: InChI=1S/C23H21ClN4O/c1-14-3-2-4-18-16(11-25-21(14)18)12-28-10-9-20-19(13-28)23(29)27-22(26-20)15-5-7-17(24)8-6-15/h2-8,11,25H,9-10,12-13H2,1H3,(H,26,27,29)
• InChIKey: YJNGOWFGVCIBQG-UHFFFAOYSA-N
• XLogP: 4.44
• TPSA: 64.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.90
LogP ≤ 5	4.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 2-(4-chlorophenyl)-6-[(7-methyl-1H-indol-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135861688) is 2-(4-chlorophenyl)-6-[(7-methyl-1H-indol-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

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

The canonical SMILES for 2-(4-chlorophenyl)-6-[(7-methyl-1H-indol-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is Cc1cccc2c(CN3CCc4nc(-c5ccc(Cl)cc5)[nH]c(=O)c4C3)c[nH]c12.

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

The InChIKey is YJNGOWFGVCIBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O/c1-14-3-2-4-18-16(11-25-21(14)18)12-28-10-9-20-19(13-28)23(29)27-22(26-20)15-5-7-17(24)8-6-15/h2-8,11,25H,9-10,12-13H2,1H3,(H,26,27,29).

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

2-(4-chlorophenyl)-6-[(7-methyl-1H-indol-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 404.90 g/mol, XLogP of 4.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chlorophenyl)-6-[(7-methyl-1H-indol-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135861688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).