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

C22H20N6O — CID 136691341

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

2-pyridin-2-yl-6-[(1-pyridin-3-ylpyrrol-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 136691341) has the molecular formula C22H20N6O and a molecular weight of 384.44 g/mol. Its IUPAC name is 2-pyridin-2-yl-6-[(1-pyridin-3-ylpyrrol-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 2-pyridin-2-yl-6-[(1-pyridin-3-ylpyrrol-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• PubChem CID: 136691341
• Molecular Formula: C22H20N6O
• Molecular Weight: 384.44 g/mol
• Exact Mass: 384.17
• IUPAC Name: 2-pyridin-2-yl-6-[(1-pyridin-3-ylpyrrol-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• SMILES: O=c1[nH]c(-c2ccccn2)nc2c1CN(Cc1cccn1-c1cccnc1)CC2
• InChI: InChI=1S/C22H20N6O/c29-22-18-15-27(14-17-6-4-11-28(17)16-5-3-9-23-13-16)12-8-19(18)25-21(26-22)20-7-1-2-10-24-20/h1-7,9-11,13H,8,12,14-15H2,(H,25,26,29)
• InChIKey: LVCXATUVJGCVCI-UHFFFAOYSA-N
• XLogP: 2.58
• TPSA: 79.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.44
LogP ≤ 5	2.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-pyridin-2-yl-6-[(1-pyridin-3-ylpyrrol-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 136691341) is 2-pyridin-2-yl-6-[(1-pyridin-3-ylpyrrol-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

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

The canonical SMILES for 2-pyridin-2-yl-6-[(1-pyridin-3-ylpyrrol-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is O=c1[nH]c(-c2ccccn2)nc2c1CN(Cc1cccn1-c1cccnc1)CC2.

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

The InChIKey is LVCXATUVJGCVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O/c29-22-18-15-27(14-17-6-4-11-28(17)16-5-3-9-23-13-16)12-8-19(18)25-21(26-22)20-7-1-2-10-24-20/h1-7,9-11,13H,8,12,14-15H2,(H,25,26,29).

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

2-pyridin-2-yl-6-[(1-pyridin-3-ylpyrrol-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 384.44 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-pyridin-2-yl-6-[(1-pyridin-3-ylpyrrol-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136691341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).