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

C24H26N6O — CID 67479000

IUPAC8-(2-methoxyphenyl)-N-[3-(4-methylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCOc1ccccc1-c1cccn2nc(Nc3cccc(N4CCN(C)CC4)c3)nc12
InChIInChI=1S/C24H26N6O/c1-28-13-15-29(16-14-28)19-8-5-7-18(17-19)25-24-26-23-21(10-6-12-30(23)27-24)20-9-3-4-11-22(20)31-2/h3-12,17H,13-16H2,1-2H3,(H,25,27)
InChIKeyCIMSNKLORQZMGF-UHFFFAOYSA-N
MW414.51 g/mol
LogP3.90
Rot. Bonds5

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

8-(2-methoxyphenyl)-N-[3-(4-methylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 67479000) has the molecular formula C24H26N6O and a molecular weight of 414.51 g/mol. Its IUPAC name is 8-(2-methoxyphenyl)-N-[3-(4-methylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name8-(2-methoxyphenyl)-N-[3-(4-methylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID67479000
Molecular FormulaC24H26N6O
Molecular Weight414.51 g/mol
Exact Mass414.22
IUPAC Name8-(2-methoxyphenyl)-N-[3-(4-methylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCOc1ccccc1-c1cccn2nc(Nc3cccc(N4CCN(C)CC4)c3)nc12
InChIInChI=1S/C24H26N6O/c1-28-13-15-29(16-14-28)19-8-5-7-18(17-19)25-24-26-23-21(10-6-12-30(23)27-24)20-9-3-4-11-22(20)31-2/h3-12,17H,13-16H2,1-2H3,(H,25,27)
InChIKeyCIMSNKLORQZMGF-UHFFFAOYSA-N
XLogP3.90
TPSA57.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-(2-methoxyphenyl)-N-[3-(4-methylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 8-(2-methoxyphenyl)-N-[3-(4-methylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 67479000) is 8-(2-methoxyphenyl)-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-methoxyphenyl)-N-[3-(4-methylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 8-(2-methoxyphenyl)-N-[3-(4-methylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is COc1ccccc1-c1cccn2nc(Nc3cccc(N4CCN(C)CC4)c3)nc12.
What is the InChIKey of 8-(2-methoxyphenyl)-N-[3-(4-methylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is CIMSNKLORQZMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O/c1-28-13-15-29(16-14-28)19-8-5-7-18(17-19)25-24-26-23-21(10-6-12-30(23)27-24)20-9-3-4-11-22(20)31-2/h3-12,17H,13-16H2,1-2H3,(H,25,27).
What are the key properties of 8-(2-methoxyphenyl)-N-[3-(4-methylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
8-(2-methoxyphenyl)-N-[3-(4-methylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 414.51 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methoxyphenyl)-N-[3-(4-methylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 67479000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).