N-phenyl-4-[[6-[4-(trifluoromethylsulfanyl)phenyl]-4,6-diazaspiro[2.4]heptan-4-yl]methyl]pyridin-3-amine

C24H23F3N4S — CID 141097721

IUPACN-phenyl-4-[[6-[4-(trifluoromethylsulfanyl)phenyl]-4,6-diazaspiro[2.4]heptan-4-yl]methyl]pyridin-3-amine
SMILESFC(F)(F)Sc1ccc(N2CN(Cc3ccncc3Nc3ccccc3)C3(CC3)C2)cc1
InChIInChI=1S/C24H23F3N4S/c25-24(26,27)32-21-8-6-20(7-9-21)30-16-23(11-12-23)31(17-30)15-18-10-13-28-14-22(18)29-19-4-2-1-3-5-19/h1-10,13-14,29H,11-12,15-17H2
InChIKeyLHLWBYCHWRBDGE-UHFFFAOYSA-N
MW456.54 g/mol
LogP6.25
Rot. Bonds6

About N-phenyl-4-[[6-[4-(trifluoromethylsulfanyl)phenyl]-4,6-diazaspiro[2.4]heptan-4-yl]methyl]pyridin-3-amine

N-phenyl-4-[[6-[4-(trifluoromethylsulfanyl)phenyl]-4,6-diazaspiro[2.4]heptan-4-yl]methyl]pyridin-3-amine (PubChem CID 141097721) has the molecular formula C24H23F3N4S and a molecular weight of 456.54 g/mol. Its IUPAC name is N-phenyl-4-[[6-[4-(trifluoromethylsulfanyl)phenyl]-4,6-diazaspiro[2.4]heptan-4-yl]methyl]pyridin-3-amine.

Molecular Properties

Compound NameN-phenyl-4-[[6-[4-(trifluoromethylsulfanyl)phenyl]-4,6-diazaspiro[2.4]heptan-4-yl]methyl]pyridin-3-amine
PubChem CID141097721
Molecular FormulaC24H23F3N4S
Molecular Weight456.54 g/mol
Exact Mass456.16
IUPAC NameN-phenyl-4-[[6-[4-(trifluoromethylsulfanyl)phenyl]-4,6-diazaspiro[2.4]heptan-4-yl]methyl]pyridin-3-amine
SMILESFC(F)(F)Sc1ccc(N2CN(Cc3ccncc3Nc3ccccc3)C3(CC3)C2)cc1
InChIInChI=1S/C24H23F3N4S/c25-24(26,27)32-21-8-6-20(7-9-21)30-16-23(11-12-23)31(17-30)15-18-10-13-28-14-22(18)29-19-4-2-1-3-5-19/h1-10,13-14,29H,11-12,15-17H2
InChIKeyLHLWBYCHWRBDGE-UHFFFAOYSA-N
XLogP6.25
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.54
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[[5,5-dimethyl-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-3-pyridinyl]-3-phenylurea
CID 141097279
4-[[5,5-dimethyl-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-1-yl]methyl]-N-phenylpyridin-3-amine
CID 141097465
8-methoxy-4-[[6-[4-(trifluoromethylsulfanyl)phenyl]-4,6-diazaspiro[2.4]heptan-4-yl]methyl]quinoline
CID 141097236
[4-[[6-[4-(trifluoromethylsulfanyl)phenyl]-4,6-diazaspiro[2.4]heptan-4-yl]methyl]-2-pyridinyl]methanol
CID 141097286
N-propan-2-yl-4-[[6-[4-(trifluoromethylsulfanyl)phenyl]-4,6-diazaspiro[2.4]heptan-4-yl]methyl]pyridin-2-amine
CID 130476540
N-[4-[[5-methyl-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-3-pyridinyl]benzamide
CID 141097386
4-[[5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]methyl]-N-phenylpyridine-3-carboxamide
CID 141097158
4-[[5,5-dimethyl-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-1-yl]methyl]-N-propan-2-ylpyridin-3-amine
CID 141097173
1-[(3-anilino-4-pyridinyl)methyl]-4-hydroxy-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one
CID 91381967
1-benzyl-3-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-3-pyridinyl]urea
CID 68764737
4-fluoro-N-[4-[[5-methyl-3-[4-(trifluoromethylsulfanyl)phenyl]-2H-imidazol-1-yl]methyl]-3-pyridinyl]benzamide
CID 141097417
[4-[[5,5-dimethyl-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl] benzoate
CID 141097439

Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-[[6-[4-(trifluoromethylsulfanyl)phenyl]-4,6-diazaspiro[2.4]heptan-4-yl]methyl]pyridin-3-amine?
The IUPAC name of N-phenyl-4-[[6-[4-(trifluoromethylsulfanyl)phenyl]-4,6-diazaspiro[2.4]heptan-4-yl]methyl]pyridin-3-amine (CID 141097721) is N-phenyl-4-[[6-[4-(trifluoromethylsulfanyl)phenyl]-4,6-diazaspiro[2.4]heptan-4-yl]methyl]pyridin-3-amine.
What is the SMILES notation for N-phenyl-4-[[6-[4-(trifluoromethylsulfanyl)phenyl]-4,6-diazaspiro[2.4]heptan-4-yl]methyl]pyridin-3-amine?
The canonical SMILES for N-phenyl-4-[[6-[4-(trifluoromethylsulfanyl)phenyl]-4,6-diazaspiro[2.4]heptan-4-yl]methyl]pyridin-3-amine is FC(F)(F)Sc1ccc(N2CN(Cc3ccncc3Nc3ccccc3)C3(CC3)C2)cc1.
What is the InChIKey of N-phenyl-4-[[6-[4-(trifluoromethylsulfanyl)phenyl]-4,6-diazaspiro[2.4]heptan-4-yl]methyl]pyridin-3-amine?
The InChIKey is LHLWBYCHWRBDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N4S/c25-24(26,27)32-21-8-6-20(7-9-21)30-16-23(11-12-23)31(17-30)15-18-10-13-28-14-22(18)29-19-4-2-1-3-5-19/h1-10,13-14,29H,11-12,15-17H2.
What are the key properties of N-phenyl-4-[[6-[4-(trifluoromethylsulfanyl)phenyl]-4,6-diazaspiro[2.4]heptan-4-yl]methyl]pyridin-3-amine?
N-phenyl-4-[[6-[4-(trifluoromethylsulfanyl)phenyl]-4,6-diazaspiro[2.4]heptan-4-yl]methyl]pyridin-3-amine has a molecular weight of 456.54 g/mol, XLogP of 6.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-[[6-[4-(trifluoromethylsulfanyl)phenyl]-4,6-diazaspiro[2.4]heptan-4-yl]methyl]pyridin-3-amine is sourced from PubChem (CID 141097721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).