[4-[[6-[4-(trifluoromethylsulfanyl)phenyl]-4,6-diazaspiro[2.4]heptan-4-yl]methyl]-2-pyridinyl]methanol

C19H20F3N3OS — CID 141097286

IUPAC[4-[[6-[4-(trifluoromethylsulfanyl)phenyl]-4,6-diazaspiro[2.4]heptan-4-yl]methyl]-2-pyridinyl]methanol
SMILESOCc1cc(CN2CN(c3ccc(SC(F)(F)F)cc3)CC23CC3)ccn1
InChIInChI=1S/C19H20F3N3OS/c20-19(21,22)27-17-3-1-16(2-4-17)24-12-18(6-7-18)25(13-24)10-14-5-8-23-15(9-14)11-26/h1-5,8-9,26H,6-7,10-13H2
InChIKeyMVPFJWBPRCDDCD-UHFFFAOYSA-N
MW395.45 g/mol
LogP4.00
Rot. Bonds5

About [4-[[6-[4-(trifluoromethylsulfanyl)phenyl]-4,6-diazaspiro[2.4]heptan-4-yl]methyl]-2-pyridinyl]methanol

[4-[[6-[4-(trifluoromethylsulfanyl)phenyl]-4,6-diazaspiro[2.4]heptan-4-yl]methyl]-2-pyridinyl]methanol (PubChem CID 141097286) has the molecular formula C19H20F3N3OS and a molecular weight of 395.45 g/mol. Its IUPAC name is [4-[[6-[4-(trifluoromethylsulfanyl)phenyl]-4,6-diazaspiro[2.4]heptan-4-yl]methyl]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[4-[[6-[4-(trifluoromethylsulfanyl)phenyl]-4,6-diazaspiro[2.4]heptan-4-yl]methyl]-2-pyridinyl]methanol
PubChem CID141097286
Molecular FormulaC19H20F3N3OS
Molecular Weight395.45 g/mol
Exact Mass395.13
IUPAC Name[4-[[6-[4-(trifluoromethylsulfanyl)phenyl]-4,6-diazaspiro[2.4]heptan-4-yl]methyl]-2-pyridinyl]methanol
SMILESOCc1cc(CN2CN(c3ccc(SC(F)(F)F)cc3)CC23CC3)ccn1
InChIInChI=1S/C19H20F3N3OS/c20-19(21,22)27-17-3-1-16(2-4-17)24-12-18(6-7-18)25(13-24)10-14-5-8-23-15(9-14)11-26/h1-5,8-9,26H,6-7,10-13H2
InChIKeyMVPFJWBPRCDDCD-UHFFFAOYSA-N
XLogP4.00
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.45
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[[6-[4-(trifluoromethylsulfanyl)phenyl]-4,6-diazaspiro[2.4]heptan-4-yl]methyl]-2-pyridinyl]methanol with MolForge

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Related Compounds

N-propan-2-yl-4-[[6-[4-(trifluoromethylsulfanyl)phenyl]-4,6-diazaspiro[2.4]heptan-4-yl]methyl]pyridin-2-amine
CID 130476540
[4-[[5,5-dimethyl-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl] benzoate
CID 141097439
N-phenyl-4-[[6-[4-(trifluoromethylsulfanyl)phenyl]-4,6-diazaspiro[2.4]heptan-4-yl]methyl]pyridin-3-amine
CID 141097721
2-[1-[(2-amino-4-pyridinyl)methyl]-5,5-dimethyl-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-4-yl]-2-oxoacetaldehyde
CID 174503695
4-[[5,5-dimethyl-4-oxaldehydoyl-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]pyridine-2-carbonitrile
CID 174489390
1-methyl-4-[4-[[5-methyl-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]piperazine
CID 141097115
4-[[6-[4-(trifluoromethylsulfonyl)phenyl]-4,6-diazaspiro[2.4]heptan-4-yl]methyl]quinolin-8-amine
CID 141097407
N-[(4-chlorophenyl)methyl]-4-[[3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]pyridine-2-carboxamide
CID 141097427
[4-(morpholin-4-ylmethyl)-2-pyridinyl]methanol
CID 18799862
1-[4-[[5,5-dimethyl-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-3-pyridinyl]-3-phenylurea
CID 141097279
tert-butyl 4-[[5,7-dioxo-6-[4-(trifluoromethylsulfanyl)phenyl]-4,6-diazaspiro[2.4]heptan-4-yl]methyl]pyridine-2-carboxylate
CID 68766529
N-[4-[[5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]methanesulfonamide
CID 141097531

Frequently Asked Questions

What is the IUPAC name of [4-[[6-[4-(trifluoromethylsulfanyl)phenyl]-4,6-diazaspiro[2.4]heptan-4-yl]methyl]-2-pyridinyl]methanol?
The IUPAC name of [4-[[6-[4-(trifluoromethylsulfanyl)phenyl]-4,6-diazaspiro[2.4]heptan-4-yl]methyl]-2-pyridinyl]methanol (CID 141097286) is [4-[[6-[4-(trifluoromethylsulfanyl)phenyl]-4,6-diazaspiro[2.4]heptan-4-yl]methyl]-2-pyridinyl]methanol.
What is the SMILES notation for [4-[[6-[4-(trifluoromethylsulfanyl)phenyl]-4,6-diazaspiro[2.4]heptan-4-yl]methyl]-2-pyridinyl]methanol?
The canonical SMILES for [4-[[6-[4-(trifluoromethylsulfanyl)phenyl]-4,6-diazaspiro[2.4]heptan-4-yl]methyl]-2-pyridinyl]methanol is OCc1cc(CN2CN(c3ccc(SC(F)(F)F)cc3)CC23CC3)ccn1.
What is the InChIKey of [4-[[6-[4-(trifluoromethylsulfanyl)phenyl]-4,6-diazaspiro[2.4]heptan-4-yl]methyl]-2-pyridinyl]methanol?
The InChIKey is MVPFJWBPRCDDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3OS/c20-19(21,22)27-17-3-1-16(2-4-17)24-12-18(6-7-18)25(13-24)10-14-5-8-23-15(9-14)11-26/h1-5,8-9,26H,6-7,10-13H2.
What are the key properties of [4-[[6-[4-(trifluoromethylsulfanyl)phenyl]-4,6-diazaspiro[2.4]heptan-4-yl]methyl]-2-pyridinyl]methanol?
[4-[[6-[4-(trifluoromethylsulfanyl)phenyl]-4,6-diazaspiro[2.4]heptan-4-yl]methyl]-2-pyridinyl]methanol has a molecular weight of 395.45 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[6-[4-(trifluoromethylsulfanyl)phenyl]-4,6-diazaspiro[2.4]heptan-4-yl]methyl]-2-pyridinyl]methanol is sourced from PubChem (CID 141097286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).