N-[(6R,7S)-5-[1-(4-fluorophenyl)indazol-5-yl]-4-oxo-6-phenyl-5-azaspiro[2.4]heptan-7-yl]cyclopropanecarboxamide

C29H25FN4O2 — CID 154598100

IUPACN-[(6R,7S)-5-[1-(4-fluorophenyl)indazol-5-yl]-4-oxo-6-phenyl-5-azaspiro[2.4]heptan-7-yl]cyclopropanecarboxamide
SMILESO=C(N[C@@H]1[C@@H](c2ccccc2)N(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C(=O)C12CC2)C1CC1
InChIInChI=1S/C29H25FN4O2/c30-21-8-10-22(11-9-21)34-24-13-12-23(16-20(24)17-31-34)33-25(18-4-2-1-3-5-18)26(29(14-15-29)28(33)36)32-27(35)19-6-7-19/h1-5,8-13,16-17,19,25-26H,6-7,14-15H2,(H,32,35)/t25-,26-/m1/s1
InChIKeyWDSARRPWTDXAKC-CLJLJLNGSA-N
MW480.54 g/mol
LogP4.93
Rot. Bonds5

About N-[(6R,7S)-5-[1-(4-fluorophenyl)indazol-5-yl]-4-oxo-6-phenyl-5-azaspiro[2.4]heptan-7-yl]cyclopropanecarboxamide

N-[(6R,7S)-5-[1-(4-fluorophenyl)indazol-5-yl]-4-oxo-6-phenyl-5-azaspiro[2.4]heptan-7-yl]cyclopropanecarboxamide (PubChem CID 154598100) has the molecular formula C29H25FN4O2 and a molecular weight of 480.54 g/mol. Its IUPAC name is N-[(6R,7S)-5-[1-(4-fluorophenyl)indazol-5-yl]-4-oxo-6-phenyl-5-azaspiro[2.4]heptan-7-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(6R,7S)-5-[1-(4-fluorophenyl)indazol-5-yl]-4-oxo-6-phenyl-5-azaspiro[2.4]heptan-7-yl]cyclopropanecarboxamide
PubChem CID154598100
Molecular FormulaC29H25FN4O2
Molecular Weight480.54 g/mol
Exact Mass480.20
IUPAC NameN-[(6R,7S)-5-[1-(4-fluorophenyl)indazol-5-yl]-4-oxo-6-phenyl-5-azaspiro[2.4]heptan-7-yl]cyclopropanecarboxamide
SMILESO=C(N[C@@H]1[C@@H](c2ccccc2)N(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C(=O)C12CC2)C1CC1
InChIInChI=1S/C29H25FN4O2/c30-21-8-10-22(11-9-21)34-24-13-12-23(16-20(24)17-31-34)33-25(18-4-2-1-3-5-18)26(29(14-15-29)28(33)36)32-27(35)19-6-7-19/h1-5,8-13,16-17,19,25-26H,6-7,14-15H2,(H,32,35)/t25-,26-/m1/s1
InChIKeyWDSARRPWTDXAKC-CLJLJLNGSA-N
XLogP4.93
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.54
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(6R,7S)-5-[1-(4-fluorophenyl)indazol-5-yl]-4-oxo-6-phenyl-5-azaspiro[2.4]heptan-7-yl]cyclopropanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(6R,7S)-5-[1-(4-fluorophenyl)indazol-5-yl]-4-oxo-6-phenyl-5-azaspiro[2.4]heptan-7-yl]cyclopropanecarboxamide?
The IUPAC name of N-[(6R,7S)-5-[1-(4-fluorophenyl)indazol-5-yl]-4-oxo-6-phenyl-5-azaspiro[2.4]heptan-7-yl]cyclopropanecarboxamide (CID 154598100) is N-[(6R,7S)-5-[1-(4-fluorophenyl)indazol-5-yl]-4-oxo-6-phenyl-5-azaspiro[2.4]heptan-7-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(6R,7S)-5-[1-(4-fluorophenyl)indazol-5-yl]-4-oxo-6-phenyl-5-azaspiro[2.4]heptan-7-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[(6R,7S)-5-[1-(4-fluorophenyl)indazol-5-yl]-4-oxo-6-phenyl-5-azaspiro[2.4]heptan-7-yl]cyclopropanecarboxamide is O=C(N[C@@H]1[C@@H](c2ccccc2)N(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C(=O)C12CC2)C1CC1.
What is the InChIKey of N-[(6R,7S)-5-[1-(4-fluorophenyl)indazol-5-yl]-4-oxo-6-phenyl-5-azaspiro[2.4]heptan-7-yl]cyclopropanecarboxamide?
The InChIKey is WDSARRPWTDXAKC-CLJLJLNGSA-N. The full InChI is InChI=1S/C29H25FN4O2/c30-21-8-10-22(11-9-21)34-24-13-12-23(16-20(24)17-31-34)33-25(18-4-2-1-3-5-18)26(29(14-15-29)28(33)36)32-27(35)19-6-7-19/h1-5,8-13,16-17,19,25-26H,6-7,14-15H2,(H,32,35)/t25-,26-/m1/s1.
What are the key properties of N-[(6R,7S)-5-[1-(4-fluorophenyl)indazol-5-yl]-4-oxo-6-phenyl-5-azaspiro[2.4]heptan-7-yl]cyclopropanecarboxamide?
N-[(6R,7S)-5-[1-(4-fluorophenyl)indazol-5-yl]-4-oxo-6-phenyl-5-azaspiro[2.4]heptan-7-yl]cyclopropanecarboxamide has a molecular weight of 480.54 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6R,7S)-5-[1-(4-fluorophenyl)indazol-5-yl]-4-oxo-6-phenyl-5-azaspiro[2.4]heptan-7-yl]cyclopropanecarboxamide is sourced from PubChem (CID 154598100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).