1-[2-(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]-2-(4-propan-2-ylphenyl)ethanone

C24H26N4O — CID 159562255

About 1-[2-(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]-2-(4-propan-2-ylphenyl)ethanone

1-[2-(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]-2-(4-propan-2-ylphenyl)ethanone (PubChem CID 159562255) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is 1-[2-(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]-2-(4-propan-2-ylphenyl)ethanone.

Molecular Properties

• Compound Name: 1-[2-(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]-2-(4-propan-2-ylphenyl)ethanone
• PubChem CID: 159562255
• Molecular Formula: C24H26N4O
• Molecular Weight: 386.50 g/mol
• Exact Mass: 386.21
• IUPAC Name: 1-[2-(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]-2-(4-propan-2-ylphenyl)ethanone
• SMILES: Cc1ncc2c(n1)CCN(c1cc(C(=O)Cc3ccc(C(C)C)cc3)ccn1)C2
• InChI: InChI=1S/C24H26N4O/c1-16(2)19-6-4-18(5-7-19)12-23(29)20-8-10-25-24(13-20)28-11-9-22-21(15-28)14-26-17(3)27-22/h4-8,10,13-14,16H,9,11-12,15H2,1-3H3
• InChIKey: MGTQVJJOVWGFOI-UHFFFAOYSA-N
• XLogP: 4.29
• TPSA: 58.98 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.50
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]-2-(4-propan-2-ylphenyl)ethanone?

The IUPAC name of 1-[2-(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]-2-(4-propan-2-ylphenyl)ethanone (CID 159562255) is 1-[2-(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]-2-(4-propan-2-ylphenyl)ethanone.

What is the SMILES notation for 1-[2-(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]-2-(4-propan-2-ylphenyl)ethanone?

The canonical SMILES for 1-[2-(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]-2-(4-propan-2-ylphenyl)ethanone is Cc1ncc2c(n1)CCN(c1cc(C(=O)Cc3ccc(C(C)C)cc3)ccn1)C2.

What is the InChIKey of 1-[2-(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]-2-(4-propan-2-ylphenyl)ethanone?

The InChIKey is MGTQVJJOVWGFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c1-16(2)19-6-4-18(5-7-19)12-23(29)20-8-10-25-24(13-20)28-11-9-22-21(15-28)14-26-17(3)27-22/h4-8,10,13-14,16H,9,11-12,15H2,1-3H3.

What are the key properties of 1-[2-(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]-2-(4-propan-2-ylphenyl)ethanone?

1-[2-(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]-2-(4-propan-2-ylphenyl)ethanone has a molecular weight of 386.50 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]-2-(4-propan-2-ylphenyl)ethanone is sourced from PubChem (CID 159562255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).