N-[[5-[2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide

C17H24N6O4 — CID 126443379

About N-[[5-[2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide

N-[[5-[2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide (PubChem CID 126443379) has the molecular formula C17H24N6O4 and a molecular weight of 376.42 g/mol. Its IUPAC name is N-[[5-[2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide.

Molecular Properties

• Compound Name: N-[[5-[2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide
• PubChem CID: 126443379
• Molecular Formula: C17H24N6O4
• Molecular Weight: 376.42 g/mol
• Exact Mass: 376.19
• IUPAC Name: N-[[5-[2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide
• SMILES: CCC(=O)NCc1cc2n(n1)CCN(C(=O)C[C@H]1C(=O)N(C)C(=O)N1C)C2
• InChI: InChI=1S/C17H24N6O4/c1-4-14(24)18-9-11-7-12-10-22(5-6-23(12)19-11)15(25)8-13-16(26)21(3)17(27)20(13)2/h7,13H,4-6,8-10H2,1-3H3,(H,18,24)/t13-/m0/s1
• InChIKey: INSOLYIOZAPOFC-ZDUSSCGKSA-N
• XLogP: -0.47
• TPSA: 107.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	376.42
LogP ≤ 5	-0.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[[5-[2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide?

The IUPAC name of N-[[5-[2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide (CID 126443379) is N-[[5-[2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide.

What is the SMILES notation for N-[[5-[2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide?

The canonical SMILES for N-[[5-[2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide is CCC(=O)NCc1cc2n(n1)CCN(C(=O)C[C@H]1C(=O)N(C)C(=O)N1C)C2.

What is the InChIKey of N-[[5-[2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide?

The InChIKey is INSOLYIOZAPOFC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H24N6O4/c1-4-14(24)18-9-11-7-12-10-22(5-6-23(12)19-11)15(25)8-13-16(26)21(3)17(27)20(13)2/h7,13H,4-6,8-10H2,1-3H3,(H,18,24)/t13-/m0/s1.

What are the key properties of N-[[5-[2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide?

N-[[5-[2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide has a molecular weight of 376.42 g/mol, XLogP of -0.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-[2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide is sourced from PubChem (CID 126443379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).