4-[(4-methoxyphenyl)methyl]-2-[6-(4-methoxyphenyl)triazolo[1,5-a]pyridin-3-yl]morpholine

C25H26N4O3 — CID 131673621

IUPAC4-[(4-methoxyphenyl)methyl]-2-[6-(4-methoxyphenyl)triazolo[1,5-a]pyridin-3-yl]morpholine
SMILESCOc1ccc(CN2CCOC(c3nnn4cc(-c5ccc(OC)cc5)ccc34)C2)cc1
InChIInChI=1S/C25H26N4O3/c1-30-21-8-3-18(4-9-21)15-28-13-14-32-24(17-28)25-23-12-7-20(16-29(23)27-26-25)19-5-10-22(31-2)11-6-19/h3-12,16,24H,13-15,17H2,1-2H3
InChIKeyOSANOHKVVPIIJD-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.99
Rot. Bonds6

About 4-[(4-methoxyphenyl)methyl]-2-[6-(4-methoxyphenyl)triazolo[1,5-a]pyridin-3-yl]morpholine

4-[(4-methoxyphenyl)methyl]-2-[6-(4-methoxyphenyl)triazolo[1,5-a]pyridin-3-yl]morpholine (PubChem CID 131673621) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)methyl]-2-[6-(4-methoxyphenyl)triazolo[1,5-a]pyridin-3-yl]morpholine.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)methyl]-2-[6-(4-methoxyphenyl)triazolo[1,5-a]pyridin-3-yl]morpholine
PubChem CID131673621
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC Name4-[(4-methoxyphenyl)methyl]-2-[6-(4-methoxyphenyl)triazolo[1,5-a]pyridin-3-yl]morpholine
SMILESCOc1ccc(CN2CCOC(c3nnn4cc(-c5ccc(OC)cc5)ccc34)C2)cc1
InChIInChI=1S/C25H26N4O3/c1-30-21-8-3-18(4-9-21)15-28-13-14-32-24(17-28)25-23-12-7-20(16-29(23)27-26-25)19-5-10-22(31-2)11-6-19/h3-12,16,24H,13-15,17H2,1-2H3
InChIKeyOSANOHKVVPIIJD-UHFFFAOYSA-N
XLogP3.99
TPSA61.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(4-fluorophenyl)methyl]-2-[6-(4-methoxyphenyl)triazolo[1,5-a]pyridin-3-yl]morpholine
CID 131673620
4-(furan-3-ylmethyl)-2-[6-(4-methoxyphenyl)triazolo[1,5-a]pyridin-3-yl]morpholine;2,2,2-trifluoroacetic acid
CID 155850841
2-[6-(4-methylphenyl)triazolo[1,5-a]pyridin-3-yl]-4-[(6-methyl-2-pyridinyl)methyl]morpholine
CID 131671017
4-[(6-methyl-2-pyridinyl)methyl]-2-(6-phenyltriazolo[1,5-a]pyridin-3-yl)morpholine
CID 131673601
[2-[6-(4-methoxyphenyl)triazolo[1,5-a]pyridin-3-yl]morpholin-4-yl]-thiophen-3-ylmethanone
CID 131670981
4-(furan-3-ylmethyl)-2-(6-phenyltriazolo[1,5-a]pyridin-3-yl)morpholine;2,2,2-trifluoroacetic acid
CID 155831144
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
(2R)-2-(4-bromophenyl)-4-[(4-methoxyphenyl)methyl]morpholine
CID 67351459
4-(1,3-benzodioxol-5-ylmethyl)-2-(6-thiophen-2-yltriazolo[1,5-a]pyridin-3-yl)morpholine
CID 131671013
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-(furan-2-ylmethyl)-2-(6-pyridin-3-yltriazolo[1,5-a]pyridin-3-yl)morpholine
CID 131673641
2-[6-(4-methylphenyl)triazolo[1,5-a]pyridin-3-yl]-4-(1,3-thiazol-2-ylmethyl)morpholine;2,2,2-trifluoroacetic acid
CID 155825790

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)methyl]-2-[6-(4-methoxyphenyl)triazolo[1,5-a]pyridin-3-yl]morpholine?
The IUPAC name of 4-[(4-methoxyphenyl)methyl]-2-[6-(4-methoxyphenyl)triazolo[1,5-a]pyridin-3-yl]morpholine (CID 131673621) is 4-[(4-methoxyphenyl)methyl]-2-[6-(4-methoxyphenyl)triazolo[1,5-a]pyridin-3-yl]morpholine.
What is the SMILES notation for 4-[(4-methoxyphenyl)methyl]-2-[6-(4-methoxyphenyl)triazolo[1,5-a]pyridin-3-yl]morpholine?
The canonical SMILES for 4-[(4-methoxyphenyl)methyl]-2-[6-(4-methoxyphenyl)triazolo[1,5-a]pyridin-3-yl]morpholine is COc1ccc(CN2CCOC(c3nnn4cc(-c5ccc(OC)cc5)ccc34)C2)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)methyl]-2-[6-(4-methoxyphenyl)triazolo[1,5-a]pyridin-3-yl]morpholine?
The InChIKey is OSANOHKVVPIIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-30-21-8-3-18(4-9-21)15-28-13-14-32-24(17-28)25-23-12-7-20(16-29(23)27-26-25)19-5-10-22(31-2)11-6-19/h3-12,16,24H,13-15,17H2,1-2H3.
What are the key properties of 4-[(4-methoxyphenyl)methyl]-2-[6-(4-methoxyphenyl)triazolo[1,5-a]pyridin-3-yl]morpholine?
4-[(4-methoxyphenyl)methyl]-2-[6-(4-methoxyphenyl)triazolo[1,5-a]pyridin-3-yl]morpholine has a molecular weight of 430.51 g/mol, XLogP of 3.99, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)methyl]-2-[6-(4-methoxyphenyl)triazolo[1,5-a]pyridin-3-yl]morpholine is sourced from PubChem (CID 131673621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).