1-(2,3-dihydro-1H-inden-5-yl)-5-oxo-N-(4-pyrrolidin-1-ylpyrimidin-5-yl)pyrrolidine-3-carboxamide

C22H25N5O2 — CID 139003437

About 1-(2,3-dihydro-1H-inden-5-yl)-5-oxo-N-(4-pyrrolidin-1-ylpyrimidin-5-yl)pyrrolidine-3-carboxamide

1-(2,3-dihydro-1H-inden-5-yl)-5-oxo-N-(4-pyrrolidin-1-ylpyrimidin-5-yl)pyrrolidine-3-carboxamide (PubChem CID 139003437) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-5-oxo-N-(4-pyrrolidin-1-ylpyrimidin-5-yl)pyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(2,3-dihydro-1H-inden-5-yl)-5-oxo-N-(4-pyrrolidin-1-ylpyrimidin-5-yl)pyrrolidine-3-carboxamide
• PubChem CID: 139003437
• Molecular Formula: C22H25N5O2
• Molecular Weight: 391.48 g/mol
• Exact Mass: 391.20
• IUPAC Name: 1-(2,3-dihydro-1H-inden-5-yl)-5-oxo-N-(4-pyrrolidin-1-ylpyrimidin-5-yl)pyrrolidine-3-carboxamide
• SMILES: O=C(Nc1cncnc1N1CCCC1)C1CC(=O)N(c2ccc3c(c2)CCC3)C1
• InChI: InChI=1S/C22H25N5O2/c28-20-11-17(13-27(20)18-7-6-15-4-3-5-16(15)10-18)22(29)25-19-12-23-14-24-21(19)26-8-1-2-9-26/h6-7,10,12,14,17H,1-5,8-9,11,13H2,(H,25,29)
• InChIKey: XONPIZZHAADESY-UHFFFAOYSA-N
• XLogP: 2.56
• TPSA: 78.43 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	391.48
LogP ≤ 5	2.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-5-oxo-N-(4-pyrrolidin-1-ylpyrimidin-5-yl)pyrrolidine-3-carboxamide?

The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-5-oxo-N-(4-pyrrolidin-1-ylpyrimidin-5-yl)pyrrolidine-3-carboxamide (CID 139003437) is 1-(2,3-dihydro-1H-inden-5-yl)-5-oxo-N-(4-pyrrolidin-1-ylpyrimidin-5-yl)pyrrolidine-3-carboxamide.

What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-5-oxo-N-(4-pyrrolidin-1-ylpyrimidin-5-yl)pyrrolidine-3-carboxamide?

The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-5-oxo-N-(4-pyrrolidin-1-ylpyrimidin-5-yl)pyrrolidine-3-carboxamide is O=C(Nc1cncnc1N1CCCC1)C1CC(=O)N(c2ccc3c(c2)CCC3)C1.

What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-5-oxo-N-(4-pyrrolidin-1-ylpyrimidin-5-yl)pyrrolidine-3-carboxamide?

The InChIKey is XONPIZZHAADESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c28-20-11-17(13-27(20)18-7-6-15-4-3-5-16(15)10-18)22(29)25-19-12-23-14-24-21(19)26-8-1-2-9-26/h6-7,10,12,14,17H,1-5,8-9,11,13H2,(H,25,29).

What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-5-oxo-N-(4-pyrrolidin-1-ylpyrimidin-5-yl)pyrrolidine-3-carboxamide?

1-(2,3-dihydro-1H-inden-5-yl)-5-oxo-N-(4-pyrrolidin-1-ylpyrimidin-5-yl)pyrrolidine-3-carboxamide has a molecular weight of 391.48 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,3-dihydro-1H-inden-5-yl)-5-oxo-N-(4-pyrrolidin-1-ylpyrimidin-5-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 139003437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).