ethane;[4-[[8-[4-(hydroxymethyl)-4-(4-methylphenyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl] thiohypofluorite

C24H30FN7OS — CID 145148032

IUPACethane;[4-[[8-[4-(hydroxymethyl)-4-(4-methylphenyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl] thiohypofluorite
SMILESCC.Cc1ccc(C2(CO)CCN(c3cccn4nc(Nc5cnn(SF)c5)nc34)CC2)cc1
InChIInChI=1S/C22H24FN7OS.C2H6/c1-16-4-6-17(7-5-16)22(15-31)8-11-28(12-9-22)19-3-2-10-29-20(19)26-21(27-29)25-18-13-24-30(14-18)32-23;1-2/h2-7,10,13-14,31H,8-9,11-12,15H2,1H3,(H,25,27);1-2H3
InChIKeyUHHBTJKTUUJYEC-UHFFFAOYSA-N
MW483.62 g/mol
LogP4.92
Rot. Bonds6

About ethane;[4-[[8-[4-(hydroxymethyl)-4-(4-methylphenyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl] thiohypofluorite

ethane;[4-[[8-[4-(hydroxymethyl)-4-(4-methylphenyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl] thiohypofluorite (PubChem CID 145148032) has the molecular formula C24H30FN7OS and a molecular weight of 483.62 g/mol. Its IUPAC name is ethane;[4-[[8-[4-(hydroxymethyl)-4-(4-methylphenyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl] thiohypofluorite.

Molecular Properties

Compound Nameethane;[4-[[8-[4-(hydroxymethyl)-4-(4-methylphenyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl] thiohypofluorite
PubChem CID145148032
Molecular FormulaC24H30FN7OS
Molecular Weight483.62 g/mol
Exact Mass483.22
IUPAC Nameethane;[4-[[8-[4-(hydroxymethyl)-4-(4-methylphenyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl] thiohypofluorite
SMILESCC.Cc1ccc(C2(CO)CCN(c3cccn4nc(Nc5cnn(SF)c5)nc34)CC2)cc1
InChIInChI=1S/C22H24FN7OS.C2H6/c1-16-4-6-17(7-5-16)22(15-31)8-11-28(12-9-22)19-3-2-10-29-20(19)26-21(27-29)25-18-13-24-30(14-18)32-23;1-2/h2-7,10,13-14,31H,8-9,11-12,15H2,1H3,(H,25,27);1-2H3
InChIKeyUHHBTJKTUUJYEC-UHFFFAOYSA-N
XLogP4.92
TPSA83.51 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.62
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

[1-[2-(2,3-dihydro-1H-pyrazol-4-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-4-(4-methylphenyl)piperidin-4-yl]methanol
CID 145148004
[4-[[8-[4-(hydroxymethyl)-4-(4-methylphenyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-[3-(methylamino)azetidin-1-yl]methanone
CID 130311005
tert-butyl 4-[[4-[[8-[4-(4-chlorophenyl)-4-(hydroxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]methyl]piperidine-1-carboxylate
CID 134363016
2-[1-[2-[[1-[2-(4-acetylpiperazin-1-yl)ethyl]pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-4-(4-methylsulfanylphenyl)piperidin-4-yl]acetonitrile
CID 134363038
8-bromo-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;1-[1-(4-chlorophenyl)cyclohexyl]-2-morpholin-4-ylethanol;1-[4-(4-chlorophenyl)-1-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]-2-morpholin-4-ylethanol
CID 159270240
4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-[4-(isocyanomethyl)-4-(4-methylsulfanylphenyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;[1-(4-methylsulfanylphenyl)cyclohexyl]methanol
CID 160540182
methyl 2-[[4-(4-methylphenyl)-1-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]methylamino]acetate;methyl 2-[2-[4-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridine-1-carbonyl]-2,7-diazaspiro[3.5]nonan-7-yl]acetate;8-[4-(4-methylphenyl)-4-(2-morpholin-4-ylethyl)piperidin-1-yl]-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-[4-(4-methylphenyl)-4-[(2,2,2-trifluoroethylamino)methyl]piperidin-1-yl]-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 161199016
[4-[[8-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-[4-(5-methylcyclohepta-1,3,4,6-tetraen-1-yl)-1,4-diazepan-1-yl]methanone
CID 123813924
2-[4-[[8-[8-(3,3-difluorocyclobutanecarbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 129269857
4-[[8-[4-(4-chlorophenyl)-4-(isocyanomethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 140729115
4-[[8-[4-(4-chlorophenyl)-4-(2,2-difluoroethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzaldehyde;N,N,1-trimethylpiperidin-4-amine
CID 144801813
2-[4-[[8-(3,8-diazabicyclo[3.2.1]octan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone;hydrochloride
CID 129246930

Frequently Asked Questions

What is the IUPAC name of ethane;[4-[[8-[4-(hydroxymethyl)-4-(4-methylphenyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl] thiohypofluorite?
The IUPAC name of ethane;[4-[[8-[4-(hydroxymethyl)-4-(4-methylphenyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl] thiohypofluorite (CID 145148032) is ethane;[4-[[8-[4-(hydroxymethyl)-4-(4-methylphenyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl] thiohypofluorite.
What is the SMILES notation for ethane;[4-[[8-[4-(hydroxymethyl)-4-(4-methylphenyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl] thiohypofluorite?
The canonical SMILES for ethane;[4-[[8-[4-(hydroxymethyl)-4-(4-methylphenyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl] thiohypofluorite is CC.Cc1ccc(C2(CO)CCN(c3cccn4nc(Nc5cnn(SF)c5)nc34)CC2)cc1.
What is the InChIKey of ethane;[4-[[8-[4-(hydroxymethyl)-4-(4-methylphenyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl] thiohypofluorite?
The InChIKey is UHHBTJKTUUJYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN7OS.C2H6/c1-16-4-6-17(7-5-16)22(15-31)8-11-28(12-9-22)19-3-2-10-29-20(19)26-21(27-29)25-18-13-24-30(14-18)32-23;1-2/h2-7,10,13-14,31H,8-9,11-12,15H2,1H3,(H,25,27);1-2H3.
What are the key properties of ethane;[4-[[8-[4-(hydroxymethyl)-4-(4-methylphenyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl] thiohypofluorite?
ethane;[4-[[8-[4-(hydroxymethyl)-4-(4-methylphenyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl] thiohypofluorite has a molecular weight of 483.62 g/mol, XLogP of 4.92, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[4-[[8-[4-(hydroxymethyl)-4-(4-methylphenyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl] thiohypofluorite is sourced from PubChem (CID 145148032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).