5-[3-(difluoromethyl)-6,6-dimethyl-4-oxo-5,7-dihydroindazol-1-yl]-3-[(4-hydroxycyclohexyl)amino]pyrazine-2-carboxamide

C21H26F2N6O3 — CID 59686895

About 5-[3-(difluoromethyl)-6,6-dimethyl-4-oxo-5,7-dihydroindazol-1-yl]-3-[(4-hydroxycyclohexyl)amino]pyrazine-2-carboxamide

5-[3-(difluoromethyl)-6,6-dimethyl-4-oxo-5,7-dihydroindazol-1-yl]-3-[(4-hydroxycyclohexyl)amino]pyrazine-2-carboxamide (PubChem CID 59686895) has the molecular formula C21H26F2N6O3 and a molecular weight of 448.47 g/mol. Its IUPAC name is 5-[3-(difluoromethyl)-6,6-dimethyl-4-oxo-5,7-dihydroindazol-1-yl]-3-[(4-hydroxycyclohexyl)amino]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[3-(difluoromethyl)-6,6-dimethyl-4-oxo-5,7-dihydroindazol-1-yl]-3-[(4-hydroxycyclohexyl)amino]pyrazine-2-carboxamide
• PubChem CID: 59686895
• Molecular Formula: C21H26F2N6O3
• Molecular Weight: 448.47 g/mol
• Exact Mass: 448.20
• IUPAC Name: 5-[3-(difluoromethyl)-6,6-dimethyl-4-oxo-5,7-dihydroindazol-1-yl]-3-[(4-hydroxycyclohexyl)amino]pyrazine-2-carboxamide
• SMILES: CC1(C)CC(=O)c2c(C(F)F)nn(-c3cnc(C(N)=O)c(NC4CCC(O)CC4)n3)c2C1
• InChI: InChI=1S/C21H26F2N6O3/c1-21(2)7-12-15(13(31)8-21)16(18(22)23)28-29(12)14-9-25-17(19(24)32)20(27-14)26-10-3-5-11(30)6-4-10/h9-11,18,30H,3-8H2,1-2H3,(H2,24,32)(H,26,27)
• InChIKey: UHBYAPQXAZZVPS-UHFFFAOYSA-N
• XLogP: 2.57
• TPSA: 136.02 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.47
LogP ≤ 5	2.57
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[3-(difluoromethyl)-6,6-dimethyl-4-oxo-5,7-dihydroindazol-1-yl]-3-[(4-hydroxycyclohexyl)amino]pyrazine-2-carboxamide?

The IUPAC name of 5-[3-(difluoromethyl)-6,6-dimethyl-4-oxo-5,7-dihydroindazol-1-yl]-3-[(4-hydroxycyclohexyl)amino]pyrazine-2-carboxamide (CID 59686895) is 5-[3-(difluoromethyl)-6,6-dimethyl-4-oxo-5,7-dihydroindazol-1-yl]-3-[(4-hydroxycyclohexyl)amino]pyrazine-2-carboxamide.

What is the SMILES notation for 5-[3-(difluoromethyl)-6,6-dimethyl-4-oxo-5,7-dihydroindazol-1-yl]-3-[(4-hydroxycyclohexyl)amino]pyrazine-2-carboxamide?

The canonical SMILES for 5-[3-(difluoromethyl)-6,6-dimethyl-4-oxo-5,7-dihydroindazol-1-yl]-3-[(4-hydroxycyclohexyl)amino]pyrazine-2-carboxamide is CC1(C)CC(=O)c2c(C(F)F)nn(-c3cnc(C(N)=O)c(NC4CCC(O)CC4)n3)c2C1.

What is the InChIKey of 5-[3-(difluoromethyl)-6,6-dimethyl-4-oxo-5,7-dihydroindazol-1-yl]-3-[(4-hydroxycyclohexyl)amino]pyrazine-2-carboxamide?

The InChIKey is UHBYAPQXAZZVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F2N6O3/c1-21(2)7-12-15(13(31)8-21)16(18(22)23)28-29(12)14-9-25-17(19(24)32)20(27-14)26-10-3-5-11(30)6-4-10/h9-11,18,30H,3-8H2,1-2H3,(H2,24,32)(H,26,27).

What are the key properties of 5-[3-(difluoromethyl)-6,6-dimethyl-4-oxo-5,7-dihydroindazol-1-yl]-3-[(4-hydroxycyclohexyl)amino]pyrazine-2-carboxamide?

5-[3-(difluoromethyl)-6,6-dimethyl-4-oxo-5,7-dihydroindazol-1-yl]-3-[(4-hydroxycyclohexyl)amino]pyrazine-2-carboxamide has a molecular weight of 448.47 g/mol, XLogP of 2.57, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-(difluoromethyl)-6,6-dimethyl-4-oxo-5,7-dihydroindazol-1-yl]-3-[(4-hydroxycyclohexyl)amino]pyrazine-2-carboxamide is sourced from PubChem (CID 59686895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).