8-(4-fluorophenyl)-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C20H24FN7S — CID 121468437

IUPAC8-(4-fluorophenyl)-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1nsc(N2CCCCC2Nc2nc3n(n2)CCCC3c2ccc(F)cc2)n1
InChIInChI=1S/C20H24FN7S/c1-13-22-20(29-26-13)27-11-3-2-6-17(27)23-19-24-18-16(5-4-12-28(18)25-19)14-7-9-15(21)10-8-14/h7-10,16-17H,2-6,11-12H2,1H3,(H,23,25)
InChIKeyHMBPSDJSDCJKAY-UHFFFAOYSA-N
MW413.53 g/mol
LogP3.93
Rot. Bonds4

About 8-(4-fluorophenyl)-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine

8-(4-fluorophenyl)-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 121468437) has the molecular formula C20H24FN7S and a molecular weight of 413.53 g/mol. Its IUPAC name is 8-(4-fluorophenyl)-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name8-(4-fluorophenyl)-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID121468437
Molecular FormulaC20H24FN7S
Molecular Weight413.53 g/mol
Exact Mass413.18
IUPAC Name8-(4-fluorophenyl)-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1nsc(N2CCCCC2Nc2nc3n(n2)CCCC3c2ccc(F)cc2)n1
InChIInChI=1S/C20H24FN7S/c1-13-22-20(29-26-13)27-11-3-2-6-17(27)23-19-24-18-16(5-4-12-28(18)25-19)14-7-9-15(21)10-8-14/h7-10,16-17H,2-6,11-12H2,1H3,(H,23,25)
InChIKeyHMBPSDJSDCJKAY-UHFFFAOYSA-N
XLogP3.93
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.53
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 8-(4-fluorophenyl)-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine 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-[8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,1,3-benzoxadiazol-5-amine
CID 118717941
5-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]-3-methyl-1,2,4-thiadiazole
CID 125143605
9-(4-fluorophenyl)-N-[3-methoxy-4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[1,5-a]azepin-2-amine
CID 46864320
(8R)-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 46864635
N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 126674339
8-(2-chloro-4-fluorophenyl)-N-[3-(3-methyl-1,2-thiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 126674451
5-[[8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-(4-methylimidazol-1-yl)benzonitrile
CID 70876542
3-cyclopentyl-2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]quinazolin-4-one
CID 126949951
(9R)-N-[(1S,5R)-3-(6-methylpyrimidin-4-yl)-3-azabicyclo[3.2.1]octan-8-yl]-9-[4-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[1,5-a]azepin-2-amine
CID 139488635
N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]cyclopropanamine
CID 65272981
2-bromo-8-(4-fluoro-2-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 67798433
N-[3-(4-methylimidazol-1-yl)-1-bicyclo[1.1.1]pentanyl]-9-(2,3,4-trifluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[1,5-a]azepin-2-amine
CID 155624576

Frequently Asked Questions

What is the IUPAC name of 8-(4-fluorophenyl)-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 8-(4-fluorophenyl)-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 121468437) is 8-(4-fluorophenyl)-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 8-(4-fluorophenyl)-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 8-(4-fluorophenyl)-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Cc1nsc(N2CCCCC2Nc2nc3n(n2)CCCC3c2ccc(F)cc2)n1.
What is the InChIKey of 8-(4-fluorophenyl)-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is HMBPSDJSDCJKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN7S/c1-13-22-20(29-26-13)27-11-3-2-6-17(27)23-19-24-18-16(5-4-12-28(18)25-19)14-7-9-15(21)10-8-14/h7-10,16-17H,2-6,11-12H2,1H3,(H,23,25).
What are the key properties of 8-(4-fluorophenyl)-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
8-(4-fluorophenyl)-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 413.53 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-fluorophenyl)-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 121468437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).