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

C28H24F5N7O2 — CID 168988236

IUPACN-[4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-[1-(trifluoromethyl)cyclopropyl]indazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide
SMILESN[C@H]1CN(c2c(NC(=O)c3ccc(=O)n(-c4c(F)cccc4F)n3)ccc3nn(C4(C(F)(F)F)CC4)cc23)CC12CC2
InChIInChI=1S/C28H24F5N7O2/c29-16-2-1-3-17(30)24(16)40-22(41)7-6-20(37-40)25(42)35-19-5-4-18-15(12-39(36-18)27(10-11-27)28(31,32)33)23(19)38-13-21(34)26(14-38)8-9-26/h1-7,12,21H,8-11,13-14,34H2,(H,35,42)/t21-/m0/s1
InChIKeyKLYCLJUFOACVQS-NRFANRHFSA-N
MW585.54 g/mol
LogP4.09
Rot. Bonds5

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

N-[4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-[1-(trifluoromethyl)cyclopropyl]indazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide (PubChem CID 168988236) has the molecular formula C28H24F5N7O2 and a molecular weight of 585.54 g/mol. Its IUPAC name is N-[4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-[1-(trifluoromethyl)cyclopropyl]indazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-[1-(trifluoromethyl)cyclopropyl]indazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide
PubChem CID168988236
Molecular FormulaC28H24F5N7O2
Molecular Weight585.54 g/mol
Exact Mass585.19
IUPAC NameN-[4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-[1-(trifluoromethyl)cyclopropyl]indazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide
SMILESN[C@H]1CN(c2c(NC(=O)c3ccc(=O)n(-c4c(F)cccc4F)n3)ccc3nn(C4(C(F)(F)F)CC4)cc23)CC12CC2
InChIInChI=1S/C28H24F5N7O2/c29-16-2-1-3-17(30)24(16)40-22(41)7-6-20(37-40)25(42)35-19-5-4-18-15(12-39(36-18)27(10-11-27)28(31,32)33)23(19)38-13-21(34)26(14-38)8-9-26/h1-7,12,21H,8-11,13-14,34H2,(H,35,42)/t21-/m0/s1
InChIKeyKLYCLJUFOACVQS-NRFANRHFSA-N
XLogP4.09
TPSA111.07 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500585.54
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-[1-(trifluoromethyl)cyclopropyl]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]-2-[1-(trifluoromethyl)cyclopropyl]indazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide (CID 168988236) is N-[4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-[1-(trifluoromethyl)cyclopropyl]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]-2-[1-(trifluoromethyl)cyclopropyl]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]-2-[1-(trifluoromethyl)cyclopropyl]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)ccc3nn(C4(C(F)(F)F)CC4)cc23)CC12CC2.
What is the InChIKey of N-[4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-[1-(trifluoromethyl)cyclopropyl]indazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide?
The InChIKey is KLYCLJUFOACVQS-NRFANRHFSA-N. The full InChI is InChI=1S/C28H24F5N7O2/c29-16-2-1-3-17(30)24(16)40-22(41)7-6-20(37-40)25(42)35-19-5-4-18-15(12-39(36-18)27(10-11-27)28(31,32)33)23(19)38-13-21(34)26(14-38)8-9-26/h1-7,12,21H,8-11,13-14,34H2,(H,35,42)/t21-/m0/s1.
What are the key properties of N-[4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-[1-(trifluoromethyl)cyclopropyl]indazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide?
N-[4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-[1-(trifluoromethyl)cyclopropyl]indazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide has a molecular weight of 585.54 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-[1-(trifluoromethyl)cyclopropyl]indazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 168988236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).