3,6-dicyclopropyl-N-[2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]ethyl]-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide

C26H26N8O4 — CID 19497660

About 3,6-dicyclopropyl-N-[2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]ethyl]-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide

3,6-dicyclopropyl-N-[2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]ethyl]-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 19497660) has the molecular formula C26H26N8O4 and a molecular weight of 514.55 g/mol. Its IUPAC name is 3,6-dicyclopropyl-N-[2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]ethyl]-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 3,6-dicyclopropyl-N-[2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]ethyl]-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 19497660
• Molecular Formula: C26H26N8O4
• Molecular Weight: 514.55 g/mol
• Exact Mass: 514.21
• IUPAC Name: 3,6-dicyclopropyl-N-[2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]ethyl]-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: O=C(Cn1cc([N+](=O)[O-])cn1)NCCNC(=O)c1cc(C2CC2)nc2c1c(C1CC1)nn2-c1ccccc1
• InChI: InChI=1S/C26H26N8O4/c35-22(15-32-14-19(13-29-32)34(37)38)27-10-11-28-26(36)20-12-21(16-6-7-16)30-25-23(20)24(17-8-9-17)31-33(25)18-4-2-1-3-5-18/h1-5,12-14,16-17H,6-11,15H2,(H,27,35)(H,28,36)
• InChIKey: FMKGNIRKTQLFCL-UHFFFAOYSA-N
• XLogP: 2.83
• TPSA: 149.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	514.55
LogP ≤ 5	2.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3,6-dicyclopropyl-N-[2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]ethyl]-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of 3,6-dicyclopropyl-N-[2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]ethyl]-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 19497660) is 3,6-dicyclopropyl-N-[2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]ethyl]-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for 3,6-dicyclopropyl-N-[2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]ethyl]-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for 3,6-dicyclopropyl-N-[2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]ethyl]-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide is O=C(Cn1cc([N+](=O)[O-])cn1)NCCNC(=O)c1cc(C2CC2)nc2c1c(C1CC1)nn2-c1ccccc1.

What is the InChIKey of 3,6-dicyclopropyl-N-[2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]ethyl]-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is FMKGNIRKTQLFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N8O4/c35-22(15-32-14-19(13-29-32)34(37)38)27-10-11-28-26(36)20-12-21(16-6-7-16)30-25-23(20)24(17-8-9-17)31-33(25)18-4-2-1-3-5-18/h1-5,12-14,16-17H,6-11,15H2,(H,27,35)(H,28,36).

What are the key properties of 3,6-dicyclopropyl-N-[2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]ethyl]-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?

3,6-dicyclopropyl-N-[2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]ethyl]-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 514.55 g/mol, XLogP of 2.83, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3,6-dicyclopropyl-N-[2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]ethyl]-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 19497660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).