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

C28H25N5O — CID 135861521

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

6-[(1-benzylindol-3-yl)methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135861521) has the molecular formula C28H25N5O and a molecular weight of 447.54 g/mol. Its IUPAC name is 6-[(1-benzylindol-3-yl)methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 6-[(1-benzylindol-3-yl)methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• PubChem CID: 135861521
• Molecular Formula: C28H25N5O
• Molecular Weight: 447.54 g/mol
• Exact Mass: 447.21
• IUPAC Name: 6-[(1-benzylindol-3-yl)methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• SMILES: O=c1[nH]c(-c2ccncc2)nc2c1CN(Cc1cn(Cc3ccccc3)c3ccccc13)CC2
• InChI: InChI=1S/C28H25N5O/c34-28-24-19-32(15-12-25(24)30-27(31-28)21-10-13-29-14-11-21)17-22-18-33(16-20-6-2-1-3-7-20)26-9-5-4-8-23(22)26/h1-11,13-14,18H,12,15-17,19H2,(H,30,31,34)
• InChIKey: FGSBGIKYGSOCQB-UHFFFAOYSA-N
• XLogP: 4.39
• TPSA: 66.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.54
LogP ≤ 5	4.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 6-[(1-benzylindol-3-yl)methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135861521) is 6-[(1-benzylindol-3-yl)methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

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

The canonical SMILES for 6-[(1-benzylindol-3-yl)methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is O=c1[nH]c(-c2ccncc2)nc2c1CN(Cc1cn(Cc3ccccc3)c3ccccc13)CC2.

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

The InChIKey is FGSBGIKYGSOCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N5O/c34-28-24-19-32(15-12-25(24)30-27(31-28)21-10-13-29-14-11-21)17-22-18-33(16-20-6-2-1-3-7-20)26-9-5-4-8-23(22)26/h1-11,13-14,18H,12,15-17,19H2,(H,30,31,34).

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

6-[(1-benzylindol-3-yl)methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 447.54 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(1-benzylindol-3-yl)methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135861521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).