8-[2-methoxy-5-(trifluoromethyl)phenyl]-N-[3-(4-methylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C25H25F3N6O — CID 59612404

IUPAC8-[2-methoxy-5-(trifluoromethyl)phenyl]-N-[3-(4-methylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCOc1ccc(C(F)(F)F)cc1-c1cccn2nc(Nc3cccc(N4CCN(C)CC4)c3)nc12
InChIInChI=1S/C25H25F3N6O/c1-32-11-13-33(14-12-32)19-6-3-5-18(16-19)29-24-30-23-20(7-4-10-34(23)31-24)21-15-17(25(26,27)28)8-9-22(21)35-2/h3-10,15-16H,11-14H2,1-2H3,(H,29,31)
InChIKeyHNNSZFDQKSQCSJ-UHFFFAOYSA-N
MW482.51 g/mol
LogP4.92
Rot. Bonds5

About 8-[2-methoxy-5-(trifluoromethyl)phenyl]-N-[3-(4-methylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

8-[2-methoxy-5-(trifluoromethyl)phenyl]-N-[3-(4-methylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 59612404) has the molecular formula C25H25F3N6O and a molecular weight of 482.51 g/mol. Its IUPAC name is 8-[2-methoxy-5-(trifluoromethyl)phenyl]-N-[3-(4-methylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name8-[2-methoxy-5-(trifluoromethyl)phenyl]-N-[3-(4-methylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID59612404
Molecular FormulaC25H25F3N6O
Molecular Weight482.51 g/mol
Exact Mass482.20
IUPAC Name8-[2-methoxy-5-(trifluoromethyl)phenyl]-N-[3-(4-methylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCOc1ccc(C(F)(F)F)cc1-c1cccn2nc(Nc3cccc(N4CCN(C)CC4)c3)nc12
InChIInChI=1S/C25H25F3N6O/c1-32-11-13-33(14-12-32)19-6-3-5-18(16-19)29-24-30-23-20(7-4-10-34(23)31-24)21-15-17(25(26,27)28)8-9-22(21)35-2/h3-10,15-16H,11-14H2,1-2H3,(H,29,31)
InChIKeyHNNSZFDQKSQCSJ-UHFFFAOYSA-N
XLogP4.92
TPSA57.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.51
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-[2-methoxy-5-(trifluoromethyl)phenyl]-N-[3-(4-methylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 8-[2-methoxy-5-(trifluoromethyl)phenyl]-N-[3-(4-methylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 59612404) is 8-[2-methoxy-5-(trifluoromethyl)phenyl]-N-[3-(4-methylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 8-[2-methoxy-5-(trifluoromethyl)phenyl]-N-[3-(4-methylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 8-[2-methoxy-5-(trifluoromethyl)phenyl]-N-[3-(4-methylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is COc1ccc(C(F)(F)F)cc1-c1cccn2nc(Nc3cccc(N4CCN(C)CC4)c3)nc12.
What is the InChIKey of 8-[2-methoxy-5-(trifluoromethyl)phenyl]-N-[3-(4-methylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is HNNSZFDQKSQCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N6O/c1-32-11-13-33(14-12-32)19-6-3-5-18(16-19)29-24-30-23-20(7-4-10-34(23)31-24)21-15-17(25(26,27)28)8-9-22(21)35-2/h3-10,15-16H,11-14H2,1-2H3,(H,29,31).
What are the key properties of 8-[2-methoxy-5-(trifluoromethyl)phenyl]-N-[3-(4-methylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
8-[2-methoxy-5-(trifluoromethyl)phenyl]-N-[3-(4-methylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 482.51 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-methoxy-5-(trifluoromethyl)phenyl]-N-[3-(4-methylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 59612404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).