N-[4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-1-[(3R)-oxolan-3-yl]indazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide

C28H27F2N7O3 — CID 170091185

About N-[4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-1-[(3R)-oxolan-3-yl]indazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide

N-[4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-1-[(3R)-oxolan-3-yl]indazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide (PubChem CID 170091185) has the molecular formula C28H27F2N7O3 and a molecular weight of 547.57 g/mol. Its IUPAC name is N-[4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-1-[(3R)-oxolan-3-yl]indazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-1-[(3R)-oxolan-3-yl]indazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide
• PubChem CID: 170091185
• Molecular Formula: C28H27F2N7O3
• Molecular Weight: 547.57 g/mol
• Exact Mass: 547.21
• IUPAC Name: N-[4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-1-[(3R)-oxolan-3-yl]indazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide
• SMILES: N[C@H]1CN(c2c(NC(=O)c3ccc(=O)n(-c4c(F)cccc4F)n3)ccc3c2cnn3[C@@H]2CCOC2)CC12CC2
• InChI: InChI=1S/C28H27F2N7O3/c29-18-2-1-3-19(30)26(18)37-24(38)7-5-21(34-37)27(39)33-20-4-6-22-17(12-32-36(22)16-8-11-40-14-16)25(20)35-13-23(31)28(15-35)9-10-28/h1-7,12,16,23H,8-11,13-15,31H2,(H,33,39)/t16-,23+/m1/s1
• InChIKey: FNKHOKDCNAXZIU-MWTRTKDXSA-N
• XLogP: 3.00
• TPSA: 120.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	547.57
LogP ≤ 5	3.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-1-[(3R)-oxolan-3-yl]indazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide?

The IUPAC name of N-[4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-1-[(3R)-oxolan-3-yl]indazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide (CID 170091185) is N-[4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-1-[(3R)-oxolan-3-yl]indazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide.

What is the SMILES notation for N-[4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-1-[(3R)-oxolan-3-yl]indazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide?

The canonical SMILES for N-[4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-1-[(3R)-oxolan-3-yl]indazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide is N[C@H]1CN(c2c(NC(=O)c3ccc(=O)n(-c4c(F)cccc4F)n3)ccc3c2cnn3[C@@H]2CCOC2)CC12CC2.

What is the InChIKey of N-[4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-1-[(3R)-oxolan-3-yl]indazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide?

The InChIKey is FNKHOKDCNAXZIU-MWTRTKDXSA-N. The full InChI is InChI=1S/C28H27F2N7O3/c29-18-2-1-3-19(30)26(18)37-24(38)7-5-21(34-37)27(39)33-20-4-6-22-17(12-32-36(22)16-8-11-40-14-16)25(20)35-13-23(31)28(15-35)9-10-28/h1-7,12,16,23H,8-11,13-15,31H2,(H,33,39)/t16-,23+/m1/s1.

What are the key properties of N-[4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-1-[(3R)-oxolan-3-yl]indazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide?

N-[4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-1-[(3R)-oxolan-3-yl]indazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide has a molecular weight of 547.57 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-1-[(3R)-oxolan-3-yl]indazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 170091185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).