N-[(3S)-1-(1-cyanocyclopropyl)-6,6-difluoro-6-(4-fluorophenyl)-2-oxohexan-3-yl]-6-azaspiro[2.5]octane-6-carboxamide

C24H28F3N3O2 — CID 58054704

IUPACN-[(3S)-1-(1-cyanocyclopropyl)-6,6-difluoro-6-(4-fluorophenyl)-2-oxohexan-3-yl]-6-azaspiro[2.5]octane-6-carboxamide
SMILESN#CC1(CC(=O)[C@H](CCC(F)(F)c2ccc(F)cc2)NC(=O)N2CCC3(CC2)CC3)CC1
InChIInChI=1S/C24H28F3N3O2/c25-18-3-1-17(2-4-18)24(26,27)6-5-19(20(31)15-23(16-28)9-10-23)29-21(32)30-13-11-22(7-8-22)12-14-30/h1-4,19H,5-15H2,(H,29,32)/t19-/m0/s1
InChIKeyHCXGKBSFBKNMNC-IBGZPJMESA-N
MW447.50 g/mol
LogP4.91
Rot. Bonds8

About N-[(3S)-1-(1-cyanocyclopropyl)-6,6-difluoro-6-(4-fluorophenyl)-2-oxohexan-3-yl]-6-azaspiro[2.5]octane-6-carboxamide

N-[(3S)-1-(1-cyanocyclopropyl)-6,6-difluoro-6-(4-fluorophenyl)-2-oxohexan-3-yl]-6-azaspiro[2.5]octane-6-carboxamide (PubChem CID 58054704) has the molecular formula C24H28F3N3O2 and a molecular weight of 447.50 g/mol. Its IUPAC name is N-[(3S)-1-(1-cyanocyclopropyl)-6,6-difluoro-6-(4-fluorophenyl)-2-oxohexan-3-yl]-6-azaspiro[2.5]octane-6-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-(1-cyanocyclopropyl)-6,6-difluoro-6-(4-fluorophenyl)-2-oxohexan-3-yl]-6-azaspiro[2.5]octane-6-carboxamide
PubChem CID58054704
Molecular FormulaC24H28F3N3O2
Molecular Weight447.50 g/mol
Exact Mass447.21
IUPAC NameN-[(3S)-1-(1-cyanocyclopropyl)-6,6-difluoro-6-(4-fluorophenyl)-2-oxohexan-3-yl]-6-azaspiro[2.5]octane-6-carboxamide
SMILESN#CC1(CC(=O)[C@H](CCC(F)(F)c2ccc(F)cc2)NC(=O)N2CCC3(CC2)CC3)CC1
InChIInChI=1S/C24H28F3N3O2/c25-18-3-1-17(2-4-18)24(26,27)6-5-19(20(31)15-23(16-28)9-10-23)29-21(32)30-13-11-22(7-8-22)12-14-30/h1-4,19H,5-15H2,(H,29,32)/t19-/m0/s1
InChIKeyHCXGKBSFBKNMNC-IBGZPJMESA-N
XLogP4.91
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.50
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3S)-1-(1-cyanocyclopropyl)-6,6-difluoro-6-(4-fluorophenyl)-2-oxohexan-3-yl]-6-azaspiro[2.5]octane-6-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(3S)-1-(1-cyanocyclopropyl)-6,6-difluoro-2-oxo-6-pyridin-4-ylhexan-3-yl]-7-cyclopropyl-2,7-diazaspiro[3.5]nonane-2-carboxamide
CID 58054653
N-[(3S)-1-(1-cyanocyclopropyl)-5,5-difluoro-2-oxo-6-[2-(trifluoromethoxy)phenyl]hexan-3-yl]-6-azaspiro[2.5]octane-6-carboxamide
CID 58054693
N-[(3S)-1-(1-cyanocyclopropyl)-5,5-difluoro-2-oxo-6-pyridin-3-ylhexan-3-yl]-6-azaspiro[2.5]octane-6-carboxamide
CID 58054658
N-[(3S)-1-(1-cyanocyclopropyl)-5,5-difluoro-2-oxo-6-pyridin-2-ylhexan-3-yl]-7-azaspiro[3.5]nonane-7-carboxamide
CID 58054683
N-[(3S)-1-(1-cyanocyclopropyl)-5,5-difluoro-2-oxo-6-phenylhexan-3-yl]-7-methyl-2,7-diazaspiro[3.5]nonane-2-carboxamide
CID 58054723
N-[1-[(1-cyanocyclopropyl)amino]-5,5-difluoro-1-oxo-5-pyridin-4-ylpentan-2-yl]-7-cyclopropyl-2,7-diazaspiro[3.5]nonane-2-carboxamide
CID 76654330
N-[(3S)-1-(1-cyanocyclopropyl)-5,5-difluoro-2-oxohexan-3-yl]-2,2-dimethyl-1-oxa-8-azaspiro[4.5]decane-8-carboxamide
CID 58054594
N-[(3S)-1-(1-cyanocyclopropyl)-5,5-difluoro-2-oxohexan-3-yl]spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-1'-carboxamide
CID 58054713
N-[(3S)-1-(1-cyanocyclopropyl)-5,5-difluoro-2-oxohexan-3-yl]spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-carboxamide
CID 58054597
N-[(2S)-1-[(1-cyanocyclopropyl)amino]-4,4-difluoro-1-oxopentan-2-yl]-6-azaspiro[2.5]octane-6-carboxamide
CID 24992876
N-[1-[(1-cyanocyclopropyl)amino]-5,5-difluoro-5-(2-fluorophenyl)-1-oxopentan-2-yl]-7-cyclopropyl-2,7-diazaspiro[3.5]nonane-2-carboxamide
CID 76654360
6-azaspiro[2.5]octane-6-carboxylic acid;[(2S)-1-[(1-cyanocyclopropyl)amino]-5,5-difluoro-1-oxo-5-pyridin-3-ylpentan-2-yl]azanide
CID 159193999

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(1-cyanocyclopropyl)-6,6-difluoro-6-(4-fluorophenyl)-2-oxohexan-3-yl]-6-azaspiro[2.5]octane-6-carboxamide?
The IUPAC name of N-[(3S)-1-(1-cyanocyclopropyl)-6,6-difluoro-6-(4-fluorophenyl)-2-oxohexan-3-yl]-6-azaspiro[2.5]octane-6-carboxamide (CID 58054704) is N-[(3S)-1-(1-cyanocyclopropyl)-6,6-difluoro-6-(4-fluorophenyl)-2-oxohexan-3-yl]-6-azaspiro[2.5]octane-6-carboxamide.
What is the SMILES notation for N-[(3S)-1-(1-cyanocyclopropyl)-6,6-difluoro-6-(4-fluorophenyl)-2-oxohexan-3-yl]-6-azaspiro[2.5]octane-6-carboxamide?
The canonical SMILES for N-[(3S)-1-(1-cyanocyclopropyl)-6,6-difluoro-6-(4-fluorophenyl)-2-oxohexan-3-yl]-6-azaspiro[2.5]octane-6-carboxamide is N#CC1(CC(=O)[C@H](CCC(F)(F)c2ccc(F)cc2)NC(=O)N2CCC3(CC2)CC3)CC1.
What is the InChIKey of N-[(3S)-1-(1-cyanocyclopropyl)-6,6-difluoro-6-(4-fluorophenyl)-2-oxohexan-3-yl]-6-azaspiro[2.5]octane-6-carboxamide?
The InChIKey is HCXGKBSFBKNMNC-IBGZPJMESA-N. The full InChI is InChI=1S/C24H28F3N3O2/c25-18-3-1-17(2-4-18)24(26,27)6-5-19(20(31)15-23(16-28)9-10-23)29-21(32)30-13-11-22(7-8-22)12-14-30/h1-4,19H,5-15H2,(H,29,32)/t19-/m0/s1.
What are the key properties of N-[(3S)-1-(1-cyanocyclopropyl)-6,6-difluoro-6-(4-fluorophenyl)-2-oxohexan-3-yl]-6-azaspiro[2.5]octane-6-carboxamide?
N-[(3S)-1-(1-cyanocyclopropyl)-6,6-difluoro-6-(4-fluorophenyl)-2-oxohexan-3-yl]-6-azaspiro[2.5]octane-6-carboxamide has a molecular weight of 447.50 g/mol, XLogP of 4.91, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(1-cyanocyclopropyl)-6,6-difluoro-6-(4-fluorophenyl)-2-oxohexan-3-yl]-6-azaspiro[2.5]octane-6-carboxamide is sourced from PubChem (CID 58054704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).