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

C30H26FN3O2 — CID 154994176

IUPACN-[(7S)-5-[1-(4-fluorophenyl)indol-5-yl]-4-oxo-6-phenyl-5-azaspiro[2.4]heptan-7-yl]cyclopropanecarboxamide
SMILESO=C(N[C@@H]1C(c2ccccc2)N(c2ccc3c(ccn3-c3ccc(F)cc3)c2)C(=O)C12CC2)C1CC1
InChIInChI=1S/C30H26FN3O2/c31-22-8-10-23(11-9-22)33-17-14-21-18-24(12-13-25(21)33)34-26(19-4-2-1-3-5-19)27(30(15-16-30)29(34)36)32-28(35)20-6-7-20/h1-5,8-14,17-18,20,26-27H,6-7,15-16H2,(H,32,35)/t26?,27-/m1/s1
InChIKeyPDEYLXGGTBYKER-SSYAZFEXSA-N
MW479.56 g/mol
LogP5.53
Rot. Bonds5

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

N-[(7S)-5-[1-(4-fluorophenyl)indol-5-yl]-4-oxo-6-phenyl-5-azaspiro[2.4]heptan-7-yl]cyclopropanecarboxamide (PubChem CID 154994176) has the molecular formula C30H26FN3O2 and a molecular weight of 479.56 g/mol. Its IUPAC name is N-[(7S)-5-[1-(4-fluorophenyl)indol-5-yl]-4-oxo-6-phenyl-5-azaspiro[2.4]heptan-7-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(7S)-5-[1-(4-fluorophenyl)indol-5-yl]-4-oxo-6-phenyl-5-azaspiro[2.4]heptan-7-yl]cyclopropanecarboxamide
PubChem CID154994176
Molecular FormulaC30H26FN3O2
Molecular Weight479.56 g/mol
Exact Mass479.20
IUPAC NameN-[(7S)-5-[1-(4-fluorophenyl)indol-5-yl]-4-oxo-6-phenyl-5-azaspiro[2.4]heptan-7-yl]cyclopropanecarboxamide
SMILESO=C(N[C@@H]1C(c2ccccc2)N(c2ccc3c(ccn3-c3ccc(F)cc3)c2)C(=O)C12CC2)C1CC1
InChIInChI=1S/C30H26FN3O2/c31-22-8-10-23(11-9-22)33-17-14-21-18-24(12-13-25(21)33)34-26(19-4-2-1-3-5-19)27(30(15-16-30)29(34)36)32-28(35)20-6-7-20/h1-5,8-14,17-18,20,26-27H,6-7,15-16H2,(H,32,35)/t26?,27-/m1/s1
InChIKeyPDEYLXGGTBYKER-SSYAZFEXSA-N
XLogP5.53
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.56
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide
CID 154598160
ethane;N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide;molecular hydrogen
CID 154641896
N-[(4S)-4-(2,2-difluoroethyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide
CID 167017749
5-bromo-1-(4-fluorophenyl)pyrazolo[4,5-b]pyridine;ethane;N-[(6R,7S)-5-[1-(4-fluorophenyl)pyrazolo[4,5-b]pyridin-5-yl]-4-oxo-6-phenyl-5-azaspiro[2.4]heptan-7-yl]cyclopropanecarboxamide;N-[(6R,7S)-4-oxo-6-phenyl-5-azaspiro[2.4]heptan-7-yl]cyclopropanecarboxamide
CID 161243489
N-[(3S)-1-[3-(4-fluorophenyl)-1,2-benzoxazol-6-yl]-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide
CID 155424841
[1-(4-fluorophenyl)indol-5-yl]-phenylmethanone
CID 134096101
N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-5,5-dimethyl-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide
CID 156742102
N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]pyridine-3-carboxamide
CID 154598155
(4R,5R)-4-(cyclopropanecarbonylamino)-3-fluoro-3-methyl-2-oxo-5-phenylpyrrolidine-1-carboxylic acid
CID 154983209
N-[(3S)-1-[1-(4-fluorophenyl)-2,3-dihydroindazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide
CID 154993998
(5R)-4-(cyclopropylmethylamino)-1-[1-(4-fluorophenyl)indazol-5-yl]-3,3-dimethyl-5-phenylpyrrolidin-2-one
CID 170105316
4-(5-fluoroindol-1-yl)benzoic acid
CID 56689281

Frequently Asked Questions

What is the IUPAC name of N-[(7S)-5-[1-(4-fluorophenyl)indol-5-yl]-4-oxo-6-phenyl-5-azaspiro[2.4]heptan-7-yl]cyclopropanecarboxamide?
The IUPAC name of N-[(7S)-5-[1-(4-fluorophenyl)indol-5-yl]-4-oxo-6-phenyl-5-azaspiro[2.4]heptan-7-yl]cyclopropanecarboxamide (CID 154994176) is N-[(7S)-5-[1-(4-fluorophenyl)indol-5-yl]-4-oxo-6-phenyl-5-azaspiro[2.4]heptan-7-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(7S)-5-[1-(4-fluorophenyl)indol-5-yl]-4-oxo-6-phenyl-5-azaspiro[2.4]heptan-7-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[(7S)-5-[1-(4-fluorophenyl)indol-5-yl]-4-oxo-6-phenyl-5-azaspiro[2.4]heptan-7-yl]cyclopropanecarboxamide is O=C(N[C@@H]1C(c2ccccc2)N(c2ccc3c(ccn3-c3ccc(F)cc3)c2)C(=O)C12CC2)C1CC1.
What is the InChIKey of N-[(7S)-5-[1-(4-fluorophenyl)indol-5-yl]-4-oxo-6-phenyl-5-azaspiro[2.4]heptan-7-yl]cyclopropanecarboxamide?
The InChIKey is PDEYLXGGTBYKER-SSYAZFEXSA-N. The full InChI is InChI=1S/C30H26FN3O2/c31-22-8-10-23(11-9-22)33-17-14-21-18-24(12-13-25(21)33)34-26(19-4-2-1-3-5-19)27(30(15-16-30)29(34)36)32-28(35)20-6-7-20/h1-5,8-14,17-18,20,26-27H,6-7,15-16H2,(H,32,35)/t26?,27-/m1/s1.
What are the key properties of N-[(7S)-5-[1-(4-fluorophenyl)indol-5-yl]-4-oxo-6-phenyl-5-azaspiro[2.4]heptan-7-yl]cyclopropanecarboxamide?
N-[(7S)-5-[1-(4-fluorophenyl)indol-5-yl]-4-oxo-6-phenyl-5-azaspiro[2.4]heptan-7-yl]cyclopropanecarboxamide has a molecular weight of 479.56 g/mol, XLogP of 5.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7S)-5-[1-(4-fluorophenyl)indol-5-yl]-4-oxo-6-phenyl-5-azaspiro[2.4]heptan-7-yl]cyclopropanecarboxamide is sourced from PubChem (CID 154994176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).