N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-3-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)propanamide

C26H25N7O4 — CID 135623477

About N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-3-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)propanamide

N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-3-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)propanamide (PubChem CID 135623477) has the molecular formula C26H25N7O4 and a molecular weight of 499.53 g/mol. Its IUPAC name is N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-3-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)propanamide.

Molecular Properties

• Compound Name: N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-3-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)propanamide
• PubChem CID: 135623477
• Molecular Formula: C26H25N7O4
• Molecular Weight: 499.53 g/mol
• Exact Mass: 499.20
• IUPAC Name: N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-3-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)propanamide
• SMILES: CC1(CCc2ccccc2)NC(=O)N(NC(=O)CCc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)C1=O
• InChI: InChI=1S/C26H25N7O4/c1-26(15-14-17-8-4-2-5-9-17)24(36)33(25(37)30-26)31-21(34)13-12-20-28-22-19(23(35)29-20)16-27-32(22)18-10-6-3-7-11-18/h2-11,16H,12-15H2,1H3,(H,30,37)(H,31,34)(H,28,29,35)
• InChIKey: FSSIRBLWRSIARZ-UHFFFAOYSA-N
• XLogP: 2.02
• TPSA: 142.08 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	499.53
LogP ≤ 5	2.02
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-3-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)propanamide?

The IUPAC name of N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-3-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)propanamide (CID 135623477) is N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-3-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)propanamide.

What is the SMILES notation for N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-3-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)propanamide?

The canonical SMILES for N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-3-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)propanamide is CC1(CCc2ccccc2)NC(=O)N(NC(=O)CCc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)C1=O.

What is the InChIKey of N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-3-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)propanamide?

The InChIKey is FSSIRBLWRSIARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7O4/c1-26(15-14-17-8-4-2-5-9-17)24(36)33(25(37)30-26)31-21(34)13-12-20-28-22-19(23(35)29-20)16-27-32(22)18-10-6-3-7-11-18/h2-11,16H,12-15H2,1H3,(H,30,37)(H,31,34)(H,28,29,35).

What are the key properties of N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-3-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)propanamide?

N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-3-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)propanamide has a molecular weight of 499.53 g/mol, XLogP of 2.02, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-3-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)propanamide is sourced from PubChem (CID 135623477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).