2-methoxy-5-[3-(methoxymethyl)-5-[4-(2-methoxyphenyl)phenyl]-1,2,4-triazol-4-yl]pyridine

C23H22N4O3 — CID 44577937

IUPAC2-methoxy-5-[3-(methoxymethyl)-5-[4-(2-methoxyphenyl)phenyl]-1,2,4-triazol-4-yl]pyridine
SMILESCOCc1nnc(-c2ccc(-c3ccccc3OC)cc2)n1-c1ccc(OC)nc1
InChIInChI=1S/C23H22N4O3/c1-28-15-21-25-26-23(27(21)18-12-13-22(30-3)24-14-18)17-10-8-16(9-11-17)19-6-4-5-7-20(19)29-2/h4-14H,15H2,1-3H3
InChIKeyITRKTGHAVVSQOD-UHFFFAOYSA-N
MW402.45 g/mol
LogP4.16
Rot. Bonds7

About 2-methoxy-5-[3-(methoxymethyl)-5-[4-(2-methoxyphenyl)phenyl]-1,2,4-triazol-4-yl]pyridine

2-methoxy-5-[3-(methoxymethyl)-5-[4-(2-methoxyphenyl)phenyl]-1,2,4-triazol-4-yl]pyridine (PubChem CID 44577937) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is 2-methoxy-5-[3-(methoxymethyl)-5-[4-(2-methoxyphenyl)phenyl]-1,2,4-triazol-4-yl]pyridine.

Molecular Properties

Compound Name2-methoxy-5-[3-(methoxymethyl)-5-[4-(2-methoxyphenyl)phenyl]-1,2,4-triazol-4-yl]pyridine
PubChem CID44577937
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC Name2-methoxy-5-[3-(methoxymethyl)-5-[4-(2-methoxyphenyl)phenyl]-1,2,4-triazol-4-yl]pyridine
SMILESCOCc1nnc(-c2ccc(-c3ccccc3OC)cc2)n1-c1ccc(OC)nc1
InChIInChI=1S/C23H22N4O3/c1-28-15-21-25-26-23(27(21)18-12-13-22(30-3)24-14-18)17-10-8-16(9-11-17)19-6-4-5-7-20(19)29-2/h4-14H,15H2,1-3H3
InChIKeyITRKTGHAVVSQOD-UHFFFAOYSA-N
XLogP4.16
TPSA71.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[3-(methoxymethyl)-5-[4-(2-methoxyphenyl)phenyl]-1,2,4-triazol-4-yl]pyridine?
The IUPAC name of 2-methoxy-5-[3-(methoxymethyl)-5-[4-(2-methoxyphenyl)phenyl]-1,2,4-triazol-4-yl]pyridine (CID 44577937) is 2-methoxy-5-[3-(methoxymethyl)-5-[4-(2-methoxyphenyl)phenyl]-1,2,4-triazol-4-yl]pyridine.
What is the SMILES notation for 2-methoxy-5-[3-(methoxymethyl)-5-[4-(2-methoxyphenyl)phenyl]-1,2,4-triazol-4-yl]pyridine?
The canonical SMILES for 2-methoxy-5-[3-(methoxymethyl)-5-[4-(2-methoxyphenyl)phenyl]-1,2,4-triazol-4-yl]pyridine is COCc1nnc(-c2ccc(-c3ccccc3OC)cc2)n1-c1ccc(OC)nc1.
What is the InChIKey of 2-methoxy-5-[3-(methoxymethyl)-5-[4-(2-methoxyphenyl)phenyl]-1,2,4-triazol-4-yl]pyridine?
The InChIKey is ITRKTGHAVVSQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c1-28-15-21-25-26-23(27(21)18-12-13-22(30-3)24-14-18)17-10-8-16(9-11-17)19-6-4-5-7-20(19)29-2/h4-14H,15H2,1-3H3.
What are the key properties of 2-methoxy-5-[3-(methoxymethyl)-5-[4-(2-methoxyphenyl)phenyl]-1,2,4-triazol-4-yl]pyridine?
2-methoxy-5-[3-(methoxymethyl)-5-[4-(2-methoxyphenyl)phenyl]-1,2,4-triazol-4-yl]pyridine has a molecular weight of 402.45 g/mol, XLogP of 4.16, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[3-(methoxymethyl)-5-[4-(2-methoxyphenyl)phenyl]-1,2,4-triazol-4-yl]pyridine is sourced from PubChem (CID 44577937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).