N-[4-(5-azaspiro[2.4]heptan-5-yl)-2-(2,3-dimethylbutan-2-yl)indazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide

C30H32F2N6O2 — CID 168988851

About N-[4-(5-azaspiro[2.4]heptan-5-yl)-2-(2,3-dimethylbutan-2-yl)indazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide

N-[4-(5-azaspiro[2.4]heptan-5-yl)-2-(2,3-dimethylbutan-2-yl)indazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide (PubChem CID 168988851) has the molecular formula C30H32F2N6O2 and a molecular weight of 546.62 g/mol. Its IUPAC name is N-[4-(5-azaspiro[2.4]heptan-5-yl)-2-(2,3-dimethylbutan-2-yl)indazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-(5-azaspiro[2.4]heptan-5-yl)-2-(2,3-dimethylbutan-2-yl)indazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide
• PubChem CID: 168988851
• Molecular Formula: C30H32F2N6O2
• Molecular Weight: 546.62 g/mol
• Exact Mass: 546.26
• IUPAC Name: N-[4-(5-azaspiro[2.4]heptan-5-yl)-2-(2,3-dimethylbutan-2-yl)indazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide
• SMILES: CC(C)C(C)(C)n1cc2c(N3CCC4(CC4)C3)c(NC(=O)c3ccc(=O)n(-c4c(F)cccc4F)n3)ccc2n1
• InChI: InChI=1S/C30H32F2N6O2/c1-18(2)29(3,4)37-16-19-22(34-37)8-9-23(26(19)36-15-14-30(17-36)12-13-30)33-28(40)24-10-11-25(39)38(35-24)27-20(31)6-5-7-21(27)32/h5-11,16,18H,12-15,17H2,1-4H3,(H,33,40)
• InChIKey: IGXIMPJMNAWMBF-UHFFFAOYSA-N
• XLogP: 5.49
• TPSA: 85.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	546.62
LogP ≤ 5	5.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-azaspiro[2.4]heptan-5-yl)-2-(2,3-dimethylbutan-2-yl)indazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide?

The IUPAC name of N-[4-(5-azaspiro[2.4]heptan-5-yl)-2-(2,3-dimethylbutan-2-yl)indazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide (CID 168988851) is N-[4-(5-azaspiro[2.4]heptan-5-yl)-2-(2,3-dimethylbutan-2-yl)indazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide.

What is the SMILES notation for N-[4-(5-azaspiro[2.4]heptan-5-yl)-2-(2,3-dimethylbutan-2-yl)indazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide?

The canonical SMILES for N-[4-(5-azaspiro[2.4]heptan-5-yl)-2-(2,3-dimethylbutan-2-yl)indazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide is CC(C)C(C)(C)n1cc2c(N3CCC4(CC4)C3)c(NC(=O)c3ccc(=O)n(-c4c(F)cccc4F)n3)ccc2n1.

What is the InChIKey of N-[4-(5-azaspiro[2.4]heptan-5-yl)-2-(2,3-dimethylbutan-2-yl)indazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide?

The InChIKey is IGXIMPJMNAWMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32F2N6O2/c1-18(2)29(3,4)37-16-19-22(34-37)8-9-23(26(19)36-15-14-30(17-36)12-13-30)33-28(40)24-10-11-25(39)38(35-24)27-20(31)6-5-7-21(27)32/h5-11,16,18H,12-15,17H2,1-4H3,(H,33,40).

What are the key properties of N-[4-(5-azaspiro[2.4]heptan-5-yl)-2-(2,3-dimethylbutan-2-yl)indazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide?

N-[4-(5-azaspiro[2.4]heptan-5-yl)-2-(2,3-dimethylbutan-2-yl)indazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide has a molecular weight of 546.62 g/mol, XLogP of 5.49, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(5-azaspiro[2.4]heptan-5-yl)-2-(2,3-dimethylbutan-2-yl)indazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 168988851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).