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

C22H22N6O — CID 136681048

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

7-[(1-ethylbenzimidazol-2-yl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 136681048) has the molecular formula C22H22N6O and a molecular weight of 386.46 g/mol. Its IUPAC name is 7-[(1-ethylbenzimidazol-2-yl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 7-[(1-ethylbenzimidazol-2-yl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
• PubChem CID: 136681048
• Molecular Formula: C22H22N6O
• Molecular Weight: 386.46 g/mol
• Exact Mass: 386.19
• IUPAC Name: 7-[(1-ethylbenzimidazol-2-yl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
• SMILES: CCn1c(CN2CCc3c(nc(-c4ccccn4)[nH]c3=O)C2)nc2ccccc21
• InChI: InChI=1S/C22H22N6O/c1-2-28-19-9-4-3-7-16(19)24-20(28)14-27-12-10-15-18(13-27)25-21(26-22(15)29)17-8-5-6-11-23-17/h3-9,11H,2,10,12-14H2,1H3,(H,25,26,29)
• InChIKey: PPDQXNXVSZOQQB-UHFFFAOYSA-N
• XLogP: 2.76
• 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	386.46
LogP ≤ 5	2.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 7-[(1-ethylbenzimidazol-2-yl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 136681048) is 7-[(1-ethylbenzimidazol-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-ethylbenzimidazol-2-yl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?

The canonical SMILES for 7-[(1-ethylbenzimidazol-2-yl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is CCn1c(CN2CCc3c(nc(-c4ccccn4)[nH]c3=O)C2)nc2ccccc21.

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

The InChIKey is PPDQXNXVSZOQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O/c1-2-28-19-9-4-3-7-16(19)24-20(28)14-27-12-10-15-18(13-27)25-21(26-22(15)29)17-8-5-6-11-23-17/h3-9,11H,2,10,12-14H2,1H3,(H,25,26,29).

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

7-[(1-ethylbenzimidazol-2-yl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 386.46 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(1-ethylbenzimidazol-2-yl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136681048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).