8-[2-fluoro-5-(trifluoromethyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C25H21F4N5 — CID 67324177

IUPAC8-[2-fluoro-5-(trifluoromethyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1cc(-c2ccc(Nc3nc4n(n3)CCCC4c3cc(C(F)(F)F)ccc3F)cc2)ccn1
InChIInChI=1S/C25H21F4N5/c1-15-13-17(10-11-30-15)16-4-7-19(8-5-16)31-24-32-23-20(3-2-12-34(23)33-24)21-14-18(25(27,28)29)6-9-22(21)26/h4-11,13-14,20H,2-3,12H2,1H3,(H,31,33)
InChIKeyHLRDBIRVLMGOAN-UHFFFAOYSA-N
MW467.47 g/mol
LogP6.48
Rot. Bonds4

About 8-[2-fluoro-5-(trifluoromethyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine

8-[2-fluoro-5-(trifluoromethyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 67324177) has the molecular formula C25H21F4N5 and a molecular weight of 467.47 g/mol. Its IUPAC name is 8-[2-fluoro-5-(trifluoromethyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name8-[2-fluoro-5-(trifluoromethyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID67324177
Molecular FormulaC25H21F4N5
Molecular Weight467.47 g/mol
Exact Mass467.17
IUPAC Name8-[2-fluoro-5-(trifluoromethyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1cc(-c2ccc(Nc3nc4n(n3)CCCC4c3cc(C(F)(F)F)ccc3F)cc2)ccn1
InChIInChI=1S/C25H21F4N5/c1-15-13-17(10-11-30-15)16-4-7-19(8-5-16)31-24-32-23-20(3-2-12-34(23)33-24)21-14-18(25(27,28)29)6-9-22(21)26/h4-11,13-14,20H,2-3,12H2,1H3,(H,31,33)
InChIKeyHLRDBIRVLMGOAN-UHFFFAOYSA-N
XLogP6.48
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.47
LogP ≤ 56.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-[2-fluoro-5-(trifluoromethyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]-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

8-(4-fluoro-2-methylphenyl)-N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 67325259
1-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine
CID 71008576
N-[3-fluoro-4-(2-methyl-4-pyridinyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 141306433
N-[4-(2-methyl-4-pyridinyl)phenyl]-1-propan-2-yl-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine
CID 71008480
8-(2-chlorophenyl)-N-[3-fluoro-4-(2-methyl-4-pyridinyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-amine
CID 71009369
(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
(9S)-N-[3-fluoro-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-9-[4-(2,2,2-trifluoroethoxy)phenyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[1,5-a]azepin-2-amine
CID 58110098
8-[2-fluoro-4-(trifluoromethyl)phenyl]-N-[3-(3-methyl-1,2,4-oxadiazol-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 126674244
8-[2-fluoro-4-(trifluoromethyl)phenyl]-N-[(1S,5R)-3-(3-methyl-1,2,4-oxadiazol-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 126674243
8-(4-fluorophenyl)-N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 67325244
9-(4-chlorophenyl)-N-[(1S,5R)-3-(6-methylpyrimidin-4-yl)-3-azabicyclo[3.2.1]octan-8-yl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[1,5-a]azepin-2-amine;(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 139488725
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

Frequently Asked Questions

What is the IUPAC name of 8-[2-fluoro-5-(trifluoromethyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 8-[2-fluoro-5-(trifluoromethyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 67324177) is 8-[2-fluoro-5-(trifluoromethyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 8-[2-fluoro-5-(trifluoromethyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 8-[2-fluoro-5-(trifluoromethyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Cc1cc(-c2ccc(Nc3nc4n(n3)CCCC4c3cc(C(F)(F)F)ccc3F)cc2)ccn1.
What is the InChIKey of 8-[2-fluoro-5-(trifluoromethyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is HLRDBIRVLMGOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F4N5/c1-15-13-17(10-11-30-15)16-4-7-19(8-5-16)31-24-32-23-20(3-2-12-34(23)33-24)21-14-18(25(27,28)29)6-9-22(21)26/h4-11,13-14,20H,2-3,12H2,1H3,(H,31,33).
What are the key properties of 8-[2-fluoro-5-(trifluoromethyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
8-[2-fluoro-5-(trifluoromethyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 467.47 g/mol, XLogP of 6.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-fluoro-5-(trifluoromethyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 67324177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).