N-cycloheptyl-2-(furan-2-yl)-6-methyl-4-oxo-5-(2-phenylpropyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

C28H34N4O3 — CID 46272580

About N-cycloheptyl-2-(furan-2-yl)-6-methyl-4-oxo-5-(2-phenylpropyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

N-cycloheptyl-2-(furan-2-yl)-6-methyl-4-oxo-5-(2-phenylpropyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 46272580) has the molecular formula C28H34N4O3 and a molecular weight of 474.61 g/mol. Its IUPAC name is N-cycloheptyl-2-(furan-2-yl)-6-methyl-4-oxo-5-(2-phenylpropyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

• Compound Name: N-cycloheptyl-2-(furan-2-yl)-6-methyl-4-oxo-5-(2-phenylpropyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
• PubChem CID: 46272580
• Molecular Formula: C28H34N4O3
• Molecular Weight: 474.61 g/mol
• Exact Mass: 474.26
• IUPAC Name: N-cycloheptyl-2-(furan-2-yl)-6-methyl-4-oxo-5-(2-phenylpropyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
• SMILES: CC(CN1C(=O)c2cc(-c3ccco3)nn2CC1(C)C(=O)NC1CCCCCC1)c1ccccc1
• InChI: InChI=1S/C28H34N4O3/c1-20(21-11-6-5-7-12-21)18-31-26(33)24-17-23(25-15-10-16-35-25)30-32(24)19-28(31,2)27(34)29-22-13-8-3-4-9-14-22/h5-7,10-12,15-17,20,22H,3-4,8-9,13-14,18-19H2,1-2H3,(H,29,34)
• InChIKey: LKUDIOIYMTVANG-UHFFFAOYSA-N
• XLogP: 5.00
• TPSA: 80.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.61
LogP ≤ 5	5.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(furan-2-yl)-6-methyl-4-oxo-5-(2-phenylpropyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?

The IUPAC name of N-cycloheptyl-2-(furan-2-yl)-6-methyl-4-oxo-5-(2-phenylpropyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 46272580) is N-cycloheptyl-2-(furan-2-yl)-6-methyl-4-oxo-5-(2-phenylpropyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

What is the SMILES notation for N-cycloheptyl-2-(furan-2-yl)-6-methyl-4-oxo-5-(2-phenylpropyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?

The canonical SMILES for N-cycloheptyl-2-(furan-2-yl)-6-methyl-4-oxo-5-(2-phenylpropyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is CC(CN1C(=O)c2cc(-c3ccco3)nn2CC1(C)C(=O)NC1CCCCCC1)c1ccccc1.

What is the InChIKey of N-cycloheptyl-2-(furan-2-yl)-6-methyl-4-oxo-5-(2-phenylpropyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?

The InChIKey is LKUDIOIYMTVANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O3/c1-20(21-11-6-5-7-12-21)18-31-26(33)24-17-23(25-15-10-16-35-25)30-32(24)19-28(31,2)27(34)29-22-13-8-3-4-9-14-22/h5-7,10-12,15-17,20,22H,3-4,8-9,13-14,18-19H2,1-2H3,(H,29,34).

What are the key properties of N-cycloheptyl-2-(furan-2-yl)-6-methyl-4-oxo-5-(2-phenylpropyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?

N-cycloheptyl-2-(furan-2-yl)-6-methyl-4-oxo-5-(2-phenylpropyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 474.61 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-cycloheptyl-2-(furan-2-yl)-6-methyl-4-oxo-5-(2-phenylpropyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 46272580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).