7-[[1-(3-methyl-2-pyridinyl)pyrrol-2-yl]methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C23H22N6O — CID 155900780

About 7-[[1-(3-methyl-2-pyridinyl)pyrrol-2-yl]methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

7-[[1-(3-methyl-2-pyridinyl)pyrrol-2-yl]methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 155900780) has the molecular formula C23H22N6O and a molecular weight of 398.47 g/mol. Its IUPAC name is 7-[[1-(3-methyl-2-pyridinyl)pyrrol-2-yl]methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 7-[[1-(3-methyl-2-pyridinyl)pyrrol-2-yl]methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
• PubChem CID: 155900780
• Molecular Formula: C23H22N6O
• Molecular Weight: 398.47 g/mol
• Exact Mass: 398.19
• IUPAC Name: 7-[[1-(3-methyl-2-pyridinyl)pyrrol-2-yl]methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
• SMILES: Cc1cccnc1-n1cccc1CN1CCc2c(nc(-c3ccccn3)[nH]c2=O)C1
• InChI: InChI=1S/C23H22N6O/c1-16-6-4-11-25-22(16)29-12-5-7-17(29)14-28-13-9-18-20(15-28)26-21(27-23(18)30)19-8-2-3-10-24-19/h2-8,10-12H,9,13-15H2,1H3,(H,26,27,30)
• InChIKey: SDCNQRXVQAGDNG-UHFFFAOYSA-N
• XLogP: 2.88
• TPSA: 79.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.47
LogP ≤ 5	2.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 7-[[1-(3-methyl-2-pyridinyl)pyrrol-2-yl]methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 155900780) is 7-[[1-(3-methyl-2-pyridinyl)pyrrol-2-yl]methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

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

The canonical SMILES for 7-[[1-(3-methyl-2-pyridinyl)pyrrol-2-yl]methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is Cc1cccnc1-n1cccc1CN1CCc2c(nc(-c3ccccn3)[nH]c2=O)C1.

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

The InChIKey is SDCNQRXVQAGDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O/c1-16-6-4-11-25-22(16)29-12-5-7-17(29)14-28-13-9-18-20(15-28)26-21(27-23(18)30)19-8-2-3-10-24-19/h2-8,10-12H,9,13-15H2,1H3,(H,26,27,30).

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

7-[[1-(3-methyl-2-pyridinyl)pyrrol-2-yl]methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 398.47 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[[1-(3-methyl-2-pyridinyl)pyrrol-2-yl]methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 155900780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).