8-[3,5-bis(trifluoromethyl)phenyl]-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C25H22F6N6 — CID 163923355

IUPAC8-[3,5-bis(trifluoromethyl)phenyl]-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1cc(N2CCC(Nc3nc4c(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)cccn4n3)CC2)ccn1
InChIInChI=1S/C25H22F6N6/c1-15-11-20(4-7-32-15)36-9-5-19(6-10-36)33-23-34-22-21(3-2-8-37(22)35-23)16-12-17(24(26,27)28)14-18(13-16)25(29,30)31/h2-4,7-8,11-14,19H,5-6,9-10H2,1H3,(H,33,35)
InChIKeyRCISHBXQOGXNFA-UHFFFAOYSA-N
MW520.48 g/mol
LogP6.22
Rot. Bonds4

About 8-[3,5-bis(trifluoromethyl)phenyl]-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

8-[3,5-bis(trifluoromethyl)phenyl]-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 163923355) has the molecular formula C25H22F6N6 and a molecular weight of 520.48 g/mol. Its IUPAC name is 8-[3,5-bis(trifluoromethyl)phenyl]-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name8-[3,5-bis(trifluoromethyl)phenyl]-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID163923355
Molecular FormulaC25H22F6N6
Molecular Weight520.48 g/mol
Exact Mass520.18
IUPAC Name8-[3,5-bis(trifluoromethyl)phenyl]-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1cc(N2CCC(Nc3nc4c(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)cccn4n3)CC2)ccn1
InChIInChI=1S/C25H22F6N6/c1-15-11-20(4-7-32-15)36-9-5-19(6-10-36)33-23-34-22-21(3-2-8-37(22)35-23)16-12-17(24(26,27)28)14-18(13-16)25(29,30)31/h2-4,7-8,11-14,19H,5-6,9-10H2,1H3,(H,33,35)
InChIKeyRCISHBXQOGXNFA-UHFFFAOYSA-N
XLogP6.22
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.48
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

8-(3,4-dichlorophenyl)-N-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 58398083
8-[3,5-bis(trifluoromethyl)phenyl]-N-[(3S,4R)-3-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-[3,5-bis(trifluoromethyl)phenyl]-N-[(3S,4S)-3-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-[3,5-bis(trifluoromethyl)phenyl]-N-[(3R,4S)-3-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 159963403
8-(3,4-difluorophenyl)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 58398073
8-[3,5-bis(trifluoromethyl)phenyl]-N-[(3S,4S)-3-fluoro-1-(3-methyl-2,5-dihydro-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 163908193
8-(3,4-difluorophenyl)-N-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 58397984
8-[3,5-bis(trifluoromethyl)phenyl]-N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 58398034
8-(2-chloro-4-methoxyphenyl)-N-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 58397938
N-(4-methylphenyl)-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 143916076
N-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 141318206
N-[3-(2-chloro-4-pyridinyl)-3-azabicyclo[3.2.1]octan-8-yl]-8-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 129216536
8-(2,2,3,3,3-pentafluoropropoxy)-N-[3-[2-(trifluoromethyl)-4-pyridinyl]-3-azabicyclo[3.2.1]octan-8-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 129216702
4-methyl-N-(1-phenylpiperidin-4-yl)pyrimidin-2-amine
CID 141014641

Frequently Asked Questions

What is the IUPAC name of 8-[3,5-bis(trifluoromethyl)phenyl]-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 8-[3,5-bis(trifluoromethyl)phenyl]-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 163923355) is 8-[3,5-bis(trifluoromethyl)phenyl]-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 8-[3,5-bis(trifluoromethyl)phenyl]-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 8-[3,5-bis(trifluoromethyl)phenyl]-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Cc1cc(N2CCC(Nc3nc4c(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)cccn4n3)CC2)ccn1.
What is the InChIKey of 8-[3,5-bis(trifluoromethyl)phenyl]-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is RCISHBXQOGXNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F6N6/c1-15-11-20(4-7-32-15)36-9-5-19(6-10-36)33-23-34-22-21(3-2-8-37(22)35-23)16-12-17(24(26,27)28)14-18(13-16)25(29,30)31/h2-4,7-8,11-14,19H,5-6,9-10H2,1H3,(H,33,35).
What are the key properties of 8-[3,5-bis(trifluoromethyl)phenyl]-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
8-[3,5-bis(trifluoromethyl)phenyl]-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 520.48 g/mol, XLogP of 6.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3,5-bis(trifluoromethyl)phenyl]-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 163923355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).