6-[6,6-dimethyl-3-(2-methylpropyl)-4-oxo-5,7-dihydroindazol-1-yl]-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide

C26H29FN4O2 — CID 139254199

About 6-[6,6-dimethyl-3-(2-methylpropyl)-4-oxo-5,7-dihydroindazol-1-yl]-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide

6-[6,6-dimethyl-3-(2-methylpropyl)-4-oxo-5,7-dihydroindazol-1-yl]-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide (PubChem CID 139254199) has the molecular formula C26H29FN4O2 and a molecular weight of 448.54 g/mol. Its IUPAC name is 6-[6,6-dimethyl-3-(2-methylpropyl)-4-oxo-5,7-dihydroindazol-1-yl]-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[6,6-dimethyl-3-(2-methylpropyl)-4-oxo-5,7-dihydroindazol-1-yl]-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide
• PubChem CID: 139254199
• Molecular Formula: C26H29FN4O2
• Molecular Weight: 448.54 g/mol
• Exact Mass: 448.23
• IUPAC Name: 6-[6,6-dimethyl-3-(2-methylpropyl)-4-oxo-5,7-dihydroindazol-1-yl]-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide
• SMILES: CC(C)Cc1nn(-c2ccc(C(=O)NCc3ccc(F)cc3)cn2)c2c1C(=O)CC(C)(C)C2
• InChI: InChI=1S/C26H29FN4O2/c1-16(2)11-20-24-21(12-26(3,4)13-22(24)32)31(30-20)23-10-7-18(15-28-23)25(33)29-14-17-5-8-19(27)9-6-17/h5-10,15-16H,11-14H2,1-4H3,(H,29,33)
• InChIKey: QUYOJHVZJMATAU-UHFFFAOYSA-N
• XLogP: 4.69
• TPSA: 76.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.54
LogP ≤ 5	4.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-[6,6-dimethyl-3-(2-methylpropyl)-4-oxo-5,7-dihydroindazol-1-yl]-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide?

The IUPAC name of 6-[6,6-dimethyl-3-(2-methylpropyl)-4-oxo-5,7-dihydroindazol-1-yl]-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide (CID 139254199) is 6-[6,6-dimethyl-3-(2-methylpropyl)-4-oxo-5,7-dihydroindazol-1-yl]-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide.

What is the SMILES notation for 6-[6,6-dimethyl-3-(2-methylpropyl)-4-oxo-5,7-dihydroindazol-1-yl]-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide?

The canonical SMILES for 6-[6,6-dimethyl-3-(2-methylpropyl)-4-oxo-5,7-dihydroindazol-1-yl]-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide is CC(C)Cc1nn(-c2ccc(C(=O)NCc3ccc(F)cc3)cn2)c2c1C(=O)CC(C)(C)C2.

What is the InChIKey of 6-[6,6-dimethyl-3-(2-methylpropyl)-4-oxo-5,7-dihydroindazol-1-yl]-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide?

The InChIKey is QUYOJHVZJMATAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN4O2/c1-16(2)11-20-24-21(12-26(3,4)13-22(24)32)31(30-20)23-10-7-18(15-28-23)25(33)29-14-17-5-8-19(27)9-6-17/h5-10,15-16H,11-14H2,1-4H3,(H,29,33).

What are the key properties of 6-[6,6-dimethyl-3-(2-methylpropyl)-4-oxo-5,7-dihydroindazol-1-yl]-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide?

6-[6,6-dimethyl-3-(2-methylpropyl)-4-oxo-5,7-dihydroindazol-1-yl]-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide has a molecular weight of 448.54 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[6,6-dimethyl-3-(2-methylpropyl)-4-oxo-5,7-dihydroindazol-1-yl]-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 139254199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).