N-benzyl-2-methylidene-3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)butanamide;1-cyclopropyl-N-(7-ethyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl)pyrazole-3-carboxamide

C38H44N8O4 — CID 177014243

About N-benzyl-2-methylidene-3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)butanamide;1-cyclopropyl-N-(7-ethyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl)pyrazole-3-carboxamide

N-benzyl-2-methylidene-3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)butanamide;1-cyclopropyl-N-(7-ethyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl)pyrazole-3-carboxamide (PubChem CID 177014243) has the molecular formula C38H44N8O4 and a molecular weight of 676.82 g/mol. Its IUPAC name is N-benzyl-2-methylidene-3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)butanamide;1-cyclopropyl-N-(7-ethyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl)pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-benzyl-2-methylidene-3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)butanamide;1-cyclopropyl-N-(7-ethyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl)pyrazole-3-carboxamide
• PubChem CID: 177014243
• Molecular Formula: C38H44N8O4
• Molecular Weight: 676.82 g/mol
• Exact Mass: 676.35
• IUPAC Name: N-benzyl-2-methylidene-3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)butanamide;1-cyclopropyl-N-(7-ethyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl)pyrazole-3-carboxamide
• SMILES: C=C(C(=O)NCc1ccccc1)C(C)N1CC2CC(C1)O2.CCN1C(=O)C(NC(=O)c2ccn(C3CC3)n2)Cc2cnn(-c3ccccc3)c21
• InChI: InChI=1S/C21H22N6O2.C17H22N2O2/c1-2-25-20-14(13-22-27(20)16-6-4-3-5-7-16)12-18(21(25)29)23-19(28)17-10-11-26(24-17)15-8-9-15;1-12(13(2)19-10-15-8-16(11-19)21-15)17(20)18-9-14-6-4-3-5-7-14/h3-7,10-11,13,15,18H,2,8-9,12H2,1H3,(H,23,28);3-7,13,15-16H,1,8-11H2,2H3,(H,18,20)
• InChIKey: XGUBEMQHGOICSX-UHFFFAOYSA-N
• XLogP: 3.83
• TPSA: 126.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	676.82
LogP ≤ 5	3.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-methylidene-3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)butanamide;1-cyclopropyl-N-(7-ethyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl)pyrazole-3-carboxamide?

The IUPAC name of N-benzyl-2-methylidene-3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)butanamide;1-cyclopropyl-N-(7-ethyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl)pyrazole-3-carboxamide (CID 177014243) is N-benzyl-2-methylidene-3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)butanamide;1-cyclopropyl-N-(7-ethyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl)pyrazole-3-carboxamide.

What is the SMILES notation for N-benzyl-2-methylidene-3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)butanamide;1-cyclopropyl-N-(7-ethyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl)pyrazole-3-carboxamide?

The canonical SMILES for N-benzyl-2-methylidene-3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)butanamide;1-cyclopropyl-N-(7-ethyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl)pyrazole-3-carboxamide is C=C(C(=O)NCc1ccccc1)C(C)N1CC2CC(C1)O2.CCN1C(=O)C(NC(=O)c2ccn(C3CC3)n2)Cc2cnn(-c3ccccc3)c21.

What is the InChIKey of N-benzyl-2-methylidene-3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)butanamide;1-cyclopropyl-N-(7-ethyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl)pyrazole-3-carboxamide?

The InChIKey is XGUBEMQHGOICSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O2.C17H22N2O2/c1-2-25-20-14(13-22-27(20)16-6-4-3-5-7-16)12-18(21(25)29)23-19(28)17-10-11-26(24-17)15-8-9-15;1-12(13(2)19-10-15-8-16(11-19)21-15)17(20)18-9-14-6-4-3-5-7-14/h3-7,10-11,13,15,18H,2,8-9,12H2,1H3,(H,23,28);3-7,13,15-16H,1,8-11H2,2H3,(H,18,20).

What are the key properties of N-benzyl-2-methylidene-3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)butanamide;1-cyclopropyl-N-(7-ethyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl)pyrazole-3-carboxamide?

N-benzyl-2-methylidene-3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)butanamide;1-cyclopropyl-N-(7-ethyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl)pyrazole-3-carboxamide has a molecular weight of 676.82 g/mol, XLogP of 3.83, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-2-methylidene-3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)butanamide;1-cyclopropyl-N-(7-ethyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 177014243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).