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

C25H26F6N6O — CID 58398034

IUPAC8-[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
SMILESCOc1cc(N2CCC(Nc3nc4n(n3)CCCC4c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)ccn1
InChIInChI=1S/C25H26F6N6O/c1-38-21-14-19(4-7-32-21)36-9-5-18(6-10-36)33-23-34-22-20(3-2-8-37(22)35-23)15-11-16(24(26,27)28)13-17(12-15)25(29,30)31/h4,7,11-14,18,20H,2-3,5-6,8-10H2,1H3,(H,33,35)
InChIKeyWDLGOQQGBJQFDJ-UHFFFAOYSA-N
MW540.51 g/mol
LogP5.73
Rot. Bonds5

About 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

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 (PubChem CID 58398034) 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-[1-(2-methoxy-4-pyridinyl)piperidin-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-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID58398034
Molecular FormulaC25H26F6N6O
Molecular Weight540.51 g/mol
Exact Mass540.21
IUPAC Name8-[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
SMILESCOc1cc(N2CCC(Nc3nc4n(n3)CCCC4c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)ccn1
InChIInChI=1S/C25H26F6N6O/c1-38-21-14-19(4-7-32-21)36-9-5-18(6-10-36)33-23-34-22-20(3-2-8-37(22)35-23)15-11-16(24(26,27)28)13-17(12-15)25(29,30)31/h4,7,11-14,18,20H,2-3,5-6,8-10H2,1H3,(H,33,35)
InChIKeyWDLGOQQGBJQFDJ-UHFFFAOYSA-N
XLogP5.73
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 ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cc(N2CCC(Nc3nc4n(n3)CCCC4c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)ccn1.
What is the InChIKey of 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?
The InChIKey is WDLGOQQGBJQFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F6N6O/c1-38-21-14-19(4-7-32-21)36-9-5-18(6-10-36)33-23-34-22-20(3-2-8-37(22)35-23)15-11-16(24(26,27)28)13-17(12-15)25(29,30)31/h4,7,11-14,18,20H,2-3,5-6,8-10H2,1H3,(H,33,35).
What are the key properties of 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?
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 has a molecular weight of 540.51 g/mol, XLogP of 5.73, 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-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 58398034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).