5-[(2-methylphenyl)methyl]-N-[1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide

C25H34N6O4 — CID 46050037

About 5-[(2-methylphenyl)methyl]-N-[1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide

5-[(2-methylphenyl)methyl]-N-[1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide (PubChem CID 46050037) has the molecular formula C25H34N6O4 and a molecular weight of 482.59 g/mol. Its IUPAC name is 5-[(2-methylphenyl)methyl]-N-[1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(2-methylphenyl)methyl]-N-[1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
• PubChem CID: 46050037
• Molecular Formula: C25H34N6O4
• Molecular Weight: 482.59 g/mol
• Exact Mass: 482.26
• IUPAC Name: 5-[(2-methylphenyl)methyl]-N-[1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
• SMILES: Cc1ccccc1CN1CCCn2nc(C(=O)NC(C)C(=O)NCCN3CCOCC3)cc2C1=O
• InChI: InChI=1S/C25H34N6O4/c1-18-6-3-4-7-20(18)17-30-9-5-10-31-22(25(30)34)16-21(28-31)24(33)27-19(2)23(32)26-8-11-29-12-14-35-15-13-29/h3-4,6-7,16,19H,5,8-15,17H2,1-2H3,(H,26,32)(H,27,33)
• InChIKey: SQVPKGBSTVTVCR-UHFFFAOYSA-N
• XLogP: 0.80
• TPSA: 108.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.59
LogP ≤ 5	0.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylphenyl)methyl]-N-[1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide?

The IUPAC name of 5-[(2-methylphenyl)methyl]-N-[1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide (CID 46050037) is 5-[(2-methylphenyl)methyl]-N-[1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide.

What is the SMILES notation for 5-[(2-methylphenyl)methyl]-N-[1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide?

The canonical SMILES for 5-[(2-methylphenyl)methyl]-N-[1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide is Cc1ccccc1CN1CCCn2nc(C(=O)NC(C)C(=O)NCCN3CCOCC3)cc2C1=O.

What is the InChIKey of 5-[(2-methylphenyl)methyl]-N-[1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide?

The InChIKey is SQVPKGBSTVTVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N6O4/c1-18-6-3-4-7-20(18)17-30-9-5-10-31-22(25(30)34)16-21(28-31)24(33)27-19(2)23(32)26-8-11-29-12-14-35-15-13-29/h3-4,6-7,16,19H,5,8-15,17H2,1-2H3,(H,26,32)(H,27,33).

What are the key properties of 5-[(2-methylphenyl)methyl]-N-[1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide?

5-[(2-methylphenyl)methyl]-N-[1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide has a molecular weight of 482.59 g/mol, XLogP of 0.80, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2-methylphenyl)methyl]-N-[1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide is sourced from PubChem (CID 46050037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).