8-[3,5-bis(trifluoromethyl)phenyl]-N-(2-methoxy-1-pyridin-4-ylpiperidin-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C25H26F6N6O — CID 87375746

IUPAC8-[3,5-bis(trifluoromethyl)phenyl]-N-(2-methoxy-1-pyridin-4-ylpiperidin-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCOC1CC(Nc2nc3n(n2)CCCC3c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCN1c1ccncc1
InChIInChI=1S/C25H26F6N6O/c1-38-21-14-18(6-10-36(21)19-4-7-32-8-5-19)33-23-34-22-20(3-2-9-37(22)35-23)15-11-16(24(26,27)28)13-17(12-15)25(29,30)31/h4-5,7-8,11-13,18,20-21H,2-3,6,9-10,14H2,1H3,(H,33,35)
InChIKeyLRLANTNIYSPCFU-UHFFFAOYSA-N
MW540.51 g/mol
LogP5.69
Rot. Bonds5

About 8-[3,5-bis(trifluoromethyl)phenyl]-N-(2-methoxy-1-pyridin-4-ylpiperidin-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine

8-[3,5-bis(trifluoromethyl)phenyl]-N-(2-methoxy-1-pyridin-4-ylpiperidin-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 87375746) has the molecular formula C25H26F6N6O and a molecular weight of 540.51 g/mol. Its IUPAC name is 8-[3,5-bis(trifluoromethyl)phenyl]-N-(2-methoxy-1-pyridin-4-ylpiperidin-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name8-[3,5-bis(trifluoromethyl)phenyl]-N-(2-methoxy-1-pyridin-4-ylpiperidin-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID87375746
Molecular FormulaC25H26F6N6O
Molecular Weight540.51 g/mol
Exact Mass540.21
IUPAC Name8-[3,5-bis(trifluoromethyl)phenyl]-N-(2-methoxy-1-pyridin-4-ylpiperidin-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCOC1CC(Nc2nc3n(n2)CCCC3c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCN1c1ccncc1
InChIInChI=1S/C25H26F6N6O/c1-38-21-14-18(6-10-36(21)19-4-7-32-8-5-19)33-23-34-22-20(3-2-9-37(22)35-23)15-11-16(24(26,27)28)13-17(12-15)25(29,30)31/h4-5,7-8,11-13,18,20-21H,2-3,6,9-10,14H2,1H3,(H,33,35)
InChIKeyLRLANTNIYSPCFU-UHFFFAOYSA-N
XLogP5.69
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.51
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 8-[3,5-bis(trifluoromethyl)phenyl]-N-(2-methoxy-1-pyridin-4-ylpiperidin-4-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

Frequently Asked Questions

What is the IUPAC name of 8-[3,5-bis(trifluoromethyl)phenyl]-N-(2-methoxy-1-pyridin-4-ylpiperidin-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 8-[3,5-bis(trifluoromethyl)phenyl]-N-(2-methoxy-1-pyridin-4-ylpiperidin-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 87375746) is 8-[3,5-bis(trifluoromethyl)phenyl]-N-(2-methoxy-1-pyridin-4-ylpiperidin-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 8-[3,5-bis(trifluoromethyl)phenyl]-N-(2-methoxy-1-pyridin-4-ylpiperidin-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 8-[3,5-bis(trifluoromethyl)phenyl]-N-(2-methoxy-1-pyridin-4-ylpiperidin-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine is COC1CC(Nc2nc3n(n2)CCCC3c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCN1c1ccncc1.
What is the InChIKey of 8-[3,5-bis(trifluoromethyl)phenyl]-N-(2-methoxy-1-pyridin-4-ylpiperidin-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is LRLANTNIYSPCFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F6N6O/c1-38-21-14-18(6-10-36(21)19-4-7-32-8-5-19)33-23-34-22-20(3-2-9-37(22)35-23)15-11-16(24(26,27)28)13-17(12-15)25(29,30)31/h4-5,7-8,11-13,18,20-21H,2-3,6,9-10,14H2,1H3,(H,33,35).
What are the key properties of 8-[3,5-bis(trifluoromethyl)phenyl]-N-(2-methoxy-1-pyridin-4-ylpiperidin-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
8-[3,5-bis(trifluoromethyl)phenyl]-N-(2-methoxy-1-pyridin-4-ylpiperidin-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 540.51 g/mol, XLogP of 5.69, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3,5-bis(trifluoromethyl)phenyl]-N-(2-methoxy-1-pyridin-4-ylpiperidin-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 87375746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).