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

C23H29N5O — CID 135963376

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

6-[(1-propan-2-ylindol-3-yl)methyl]-2-pyrrolidin-1-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135963376) has the molecular formula C23H29N5O and a molecular weight of 391.52 g/mol. Its IUPAC name is 6-[(1-propan-2-ylindol-3-yl)methyl]-2-pyrrolidin-1-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 6-[(1-propan-2-ylindol-3-yl)methyl]-2-pyrrolidin-1-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• PubChem CID: 135963376
• Molecular Formula: C23H29N5O
• Molecular Weight: 391.52 g/mol
• Exact Mass: 391.24
• IUPAC Name: 6-[(1-propan-2-ylindol-3-yl)methyl]-2-pyrrolidin-1-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• SMILES: CC(C)n1cc(CN2CCc3nc(N4CCCC4)[nH]c(=O)c3C2)c2ccccc21
• InChI: InChI=1S/C23H29N5O/c1-16(2)28-14-17(18-7-3-4-8-21(18)28)13-26-12-9-20-19(15-26)22(29)25-23(24-20)27-10-5-6-11-27/h3-4,7-8,14,16H,5-6,9-13,15H2,1-2H3,(H,24,25,29)
• InChIKey: ISKOPBANZWWEBM-UHFFFAOYSA-N
• XLogP: 3.46
• TPSA: 57.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.52
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 6-[(1-propan-2-ylindol-3-yl)methyl]-2-pyrrolidin-1-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135963376) is 6-[(1-propan-2-ylindol-3-yl)methyl]-2-pyrrolidin-1-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

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

The canonical SMILES for 6-[(1-propan-2-ylindol-3-yl)methyl]-2-pyrrolidin-1-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is CC(C)n1cc(CN2CCc3nc(N4CCCC4)[nH]c(=O)c3C2)c2ccccc21.

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

The InChIKey is ISKOPBANZWWEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O/c1-16(2)28-14-17(18-7-3-4-8-21(18)28)13-26-12-9-20-19(15-26)22(29)25-23(24-20)27-10-5-6-11-27/h3-4,7-8,14,16H,5-6,9-13,15H2,1-2H3,(H,24,25,29).

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

6-[(1-propan-2-ylindol-3-yl)methyl]-2-pyrrolidin-1-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 391.52 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(1-propan-2-ylindol-3-yl)methyl]-2-pyrrolidin-1-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135963376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).