6-(2-methoxyphenyl)-3-[1-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperazin-2-yl]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid

C25H28F3N7O3 — CID 171693714

IUPAC6-(2-methoxyphenyl)-3-[1-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperazin-2-yl]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid
SMILESCOc1ccccc1-c1ccc2c(C3CN(Cc4cnn(C)c4)CCN3C)nnn2c1.O=C(O)C(F)(F)F
InChIInChI=1S/C23H27N7O.C2HF3O2/c1-27-10-11-29(14-17-12-24-28(2)13-17)16-21(27)23-20-9-8-18(15-30(20)26-25-23)19-6-4-5-7-22(19)31-3;3-2(4,5)1(6)7/h4-9,12-13,15,21H,10-11,14,16H2,1-3H3;(H,6,7)
InChIKeyDLANHHJAOYRKSN-UHFFFAOYSA-N
MW531.54 g/mol
LogP3.26
Rot. Bonds5

About 6-(2-methoxyphenyl)-3-[1-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperazin-2-yl]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid

6-(2-methoxyphenyl)-3-[1-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperazin-2-yl]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid (PubChem CID 171693714) has the molecular formula C25H28F3N7O3 and a molecular weight of 531.54 g/mol. Its IUPAC name is 6-(2-methoxyphenyl)-3-[1-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperazin-2-yl]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name6-(2-methoxyphenyl)-3-[1-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperazin-2-yl]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid
PubChem CID171693714
Molecular FormulaC25H28F3N7O3
Molecular Weight531.54 g/mol
Exact Mass531.22
IUPAC Name6-(2-methoxyphenyl)-3-[1-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperazin-2-yl]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid
SMILESCOc1ccccc1-c1ccc2c(C3CN(Cc4cnn(C)c4)CCN3C)nnn2c1.O=C(O)C(F)(F)F
InChIInChI=1S/C23H27N7O.C2HF3O2/c1-27-10-11-29(14-17-12-24-28(2)13-17)16-21(27)23-20-9-8-18(15-30(20)26-25-23)19-6-4-5-7-22(19)31-3;3-2(4,5)1(6)7/h4-9,12-13,15,21H,10-11,14,16H2,1-3H3;(H,6,7)
InChIKeyDLANHHJAOYRKSN-UHFFFAOYSA-N
XLogP3.26
TPSA101.02 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.54
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

6-(2-methoxyphenyl)-3-[1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]triazolo[1,5-a]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 171692989
6-(3-fluorophenyl)-3-[1-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperazin-2-yl]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid
CID 171697135
3-[4-[(4-methoxyphenyl)methyl]-1-methylpiperazin-2-yl]-6-pyridin-4-yltriazolo[1,5-a]pyridine;tris(2,2,2-trifluoroacetic acid)
CID 155844682
6-(2-methoxyphenyl)-3-[1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]triazolo[1,5-a]pyridine
CID 131673667
3-[4-[(4-fluorophenyl)methyl]-1-methylpiperazin-2-yl]-6-pyridin-4-yltriazolo[1,5-a]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 171694661
3-[1-methyl-4-(pyridin-3-ylmethyl)piperazin-2-yl]-6-phenyltriazolo[1,5-a]pyridine
CID 131671067
4-(furan-3-ylmethyl)-2-[6-(4-methoxyphenyl)triazolo[1,5-a]pyridin-3-yl]morpholine;2,2,2-trifluoroacetic acid
CID 155850841
4-(furan-3-ylmethyl)-2-(6-phenyltriazolo[1,5-a]pyridin-3-yl)morpholine;2,2,2-trifluoroacetic acid
CID 155831144
3-[1-methyl-4-(pyridin-4-ylmethyl)piperazin-2-yl]-6-thiophen-3-yltriazolo[1,5-a]pyridine
CID 131671057
[3-[6-(3-fluorophenyl)triazolo[1,5-a]pyridin-3-yl]-4-methylpiperazin-1-yl]-pyridin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid)
CID 155862934
4-(pyridin-3-ylmethyl)-2-(6-pyridin-3-yltriazolo[1,5-a]pyridin-3-yl)morpholine;tris(2,2,2-trifluoroacetic acid)
CID 155825843
[4-[[2-(2-methoxyphenyl)pyrimidin-5-yl]methyl]-1-methylpiperazin-2-yl]methanol
CID 77080984

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyphenyl)-3-[1-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperazin-2-yl]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid?
The IUPAC name of 6-(2-methoxyphenyl)-3-[1-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperazin-2-yl]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid (CID 171693714) is 6-(2-methoxyphenyl)-3-[1-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperazin-2-yl]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 6-(2-methoxyphenyl)-3-[1-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperazin-2-yl]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 6-(2-methoxyphenyl)-3-[1-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperazin-2-yl]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid is COc1ccccc1-c1ccc2c(C3CN(Cc4cnn(C)c4)CCN3C)nnn2c1.O=C(O)C(F)(F)F.
What is the InChIKey of 6-(2-methoxyphenyl)-3-[1-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperazin-2-yl]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid?
The InChIKey is DLANHHJAOYRKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O.C2HF3O2/c1-27-10-11-29(14-17-12-24-28(2)13-17)16-21(27)23-20-9-8-18(15-30(20)26-25-23)19-6-4-5-7-22(19)31-3;3-2(4,5)1(6)7/h4-9,12-13,15,21H,10-11,14,16H2,1-3H3;(H,6,7).
What are the key properties of 6-(2-methoxyphenyl)-3-[1-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperazin-2-yl]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid?
6-(2-methoxyphenyl)-3-[1-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperazin-2-yl]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid has a molecular weight of 531.54 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyphenyl)-3-[1-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperazin-2-yl]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 171693714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).