7-cyclohexyl-2-[(3R)-1-[(2R)-2-(2-oxopyrrolidin-1-yl)propanoyl]pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C24H35N5O3 — CID 136774990

About 7-cyclohexyl-2-[(3R)-1-[(2R)-2-(2-oxopyrrolidin-1-yl)propanoyl]pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

7-cyclohexyl-2-[(3R)-1-[(2R)-2-(2-oxopyrrolidin-1-yl)propanoyl]pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 136774990) has the molecular formula C24H35N5O3 and a molecular weight of 441.58 g/mol. Its IUPAC name is 7-cyclohexyl-2-[(3R)-1-[(2R)-2-(2-oxopyrrolidin-1-yl)propanoyl]pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 7-cyclohexyl-2-[(3R)-1-[(2R)-2-(2-oxopyrrolidin-1-yl)propanoyl]pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
• PubChem CID: 136774990
• Molecular Formula: C24H35N5O3
• Molecular Weight: 441.58 g/mol
• Exact Mass: 441.27
• IUPAC Name: 7-cyclohexyl-2-[(3R)-1-[(2R)-2-(2-oxopyrrolidin-1-yl)propanoyl]pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
• SMILES: C[C@H](C(=O)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CCN(C2CCCCC2)C3)C1)N1CCCC1=O
• InChI: InChI=1S/C24H35N5O3/c1-16(29-11-5-8-21(29)30)24(32)28-12-9-17(14-28)22-25-20-15-27(18-6-3-2-4-7-18)13-10-19(20)23(31)26-22/h16-18H,2-15H2,1H3,(H,25,26,31)/t16-,17-/m1/s1
• InChIKey: HIZNKYMNVCHKJN-IAGOWNOFSA-N
• XLogP: 1.79
• TPSA: 89.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.58
LogP ≤ 5	1.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-cyclohexyl-2-[(3R)-1-[(2R)-2-(2-oxopyrrolidin-1-yl)propanoyl]pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?

The IUPAC name of 7-cyclohexyl-2-[(3R)-1-[(2R)-2-(2-oxopyrrolidin-1-yl)propanoyl]pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 136774990) is 7-cyclohexyl-2-[(3R)-1-[(2R)-2-(2-oxopyrrolidin-1-yl)propanoyl]pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

What is the SMILES notation for 7-cyclohexyl-2-[(3R)-1-[(2R)-2-(2-oxopyrrolidin-1-yl)propanoyl]pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?

The canonical SMILES for 7-cyclohexyl-2-[(3R)-1-[(2R)-2-(2-oxopyrrolidin-1-yl)propanoyl]pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is C[C@H](C(=O)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CCN(C2CCCCC2)C3)C1)N1CCCC1=O.

What is the InChIKey of 7-cyclohexyl-2-[(3R)-1-[(2R)-2-(2-oxopyrrolidin-1-yl)propanoyl]pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?

The InChIKey is HIZNKYMNVCHKJN-IAGOWNOFSA-N. The full InChI is InChI=1S/C24H35N5O3/c1-16(29-11-5-8-21(29)30)24(32)28-12-9-17(14-28)22-25-20-15-27(18-6-3-2-4-7-18)13-10-19(20)23(31)26-22/h16-18H,2-15H2,1H3,(H,25,26,31)/t16-,17-/m1/s1.

What are the key properties of 7-cyclohexyl-2-[(3R)-1-[(2R)-2-(2-oxopyrrolidin-1-yl)propanoyl]pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?

7-cyclohexyl-2-[(3R)-1-[(2R)-2-(2-oxopyrrolidin-1-yl)propanoyl]pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 441.58 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-cyclohexyl-2-[(3R)-1-[(2R)-2-(2-oxopyrrolidin-1-yl)propanoyl]pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136774990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).