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

C24H23FN4O2 — CID 131673620

IUPAC4-[(4-fluorophenyl)methyl]-2-[6-(4-methoxyphenyl)triazolo[1,5-a]pyridin-3-yl]morpholine
SMILESCOc1ccc(-c2ccc3c(C4CN(Cc5ccc(F)cc5)CCO4)nnn3c2)cc1
InChIInChI=1S/C24H23FN4O2/c1-30-21-9-4-18(5-10-21)19-6-11-22-24(26-27-29(22)15-19)23-16-28(12-13-31-23)14-17-2-7-20(25)8-3-17/h2-11,15,23H,12-14,16H2,1H3
InChIKeyCSTUCJMVZWWVHD-UHFFFAOYSA-N
MW418.47 g/mol
LogP4.12
Rot. Bonds5

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

4-[(4-fluorophenyl)methyl]-2-[6-(4-methoxyphenyl)triazolo[1,5-a]pyridin-3-yl]morpholine (PubChem CID 131673620) has the molecular formula C24H23FN4O2 and a molecular weight of 418.47 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methyl]-2-[6-(4-methoxyphenyl)triazolo[1,5-a]pyridin-3-yl]morpholine.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methyl]-2-[6-(4-methoxyphenyl)triazolo[1,5-a]pyridin-3-yl]morpholine
PubChem CID131673620
Molecular FormulaC24H23FN4O2
Molecular Weight418.47 g/mol
Exact Mass418.18
IUPAC Name4-[(4-fluorophenyl)methyl]-2-[6-(4-methoxyphenyl)triazolo[1,5-a]pyridin-3-yl]morpholine
SMILESCOc1ccc(-c2ccc3c(C4CN(Cc5ccc(F)cc5)CCO4)nnn3c2)cc1
InChIInChI=1S/C24H23FN4O2/c1-30-21-9-4-18(5-10-21)19-6-11-22-24(26-27-29(22)15-19)23-16-28(12-13-31-23)14-17-2-7-20(25)8-3-17/h2-11,15,23H,12-14,16H2,1H3
InChIKeyCSTUCJMVZWWVHD-UHFFFAOYSA-N
XLogP4.12
TPSA51.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(4-methoxyphenyl)methyl]-2-[6-(4-methoxyphenyl)triazolo[1,5-a]pyridin-3-yl]morpholine
CID 131673621
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
4-(furan-3-ylmethyl)-2-(6-phenyltriazolo[1,5-a]pyridin-3-yl)morpholine;2,2,2-trifluoroacetic acid
CID 155831144
4-[(4-fluorophenyl)methyl]-2-[5-(3-methoxyphenyl)-2-pyridinyl]morpholine
CID 127250272
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
[2-[6-(4-methoxyphenyl)triazolo[1,5-a]pyridin-3-yl]morpholin-4-yl]-thiophen-3-ylmethanone
CID 131670981
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
4-(pyridin-3-ylmethyl)-2-(6-pyridin-3-yltriazolo[1,5-a]pyridin-3-yl)morpholine;tris(2,2,2-trifluoroacetic acid)
CID 155825843
2-(6-phenyltriazolo[1,5-a]pyridin-3-yl)-4-(pyridin-2-ylmethyl)morpholine;bis(2,2,2-trifluoroacetic acid)
CID 155834497
6-[4-[(4-methoxyphenyl)methyl]morpholin-2-yl]-N-methylpyridin-3-amine
CID 110272026

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methyl]-2-[6-(4-methoxyphenyl)triazolo[1,5-a]pyridin-3-yl]morpholine?
The IUPAC name of 4-[(4-fluorophenyl)methyl]-2-[6-(4-methoxyphenyl)triazolo[1,5-a]pyridin-3-yl]morpholine (CID 131673620) is 4-[(4-fluorophenyl)methyl]-2-[6-(4-methoxyphenyl)triazolo[1,5-a]pyridin-3-yl]morpholine.
What is the SMILES notation for 4-[(4-fluorophenyl)methyl]-2-[6-(4-methoxyphenyl)triazolo[1,5-a]pyridin-3-yl]morpholine?
The canonical SMILES for 4-[(4-fluorophenyl)methyl]-2-[6-(4-methoxyphenyl)triazolo[1,5-a]pyridin-3-yl]morpholine is COc1ccc(-c2ccc3c(C4CN(Cc5ccc(F)cc5)CCO4)nnn3c2)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)methyl]-2-[6-(4-methoxyphenyl)triazolo[1,5-a]pyridin-3-yl]morpholine?
The InChIKey is CSTUCJMVZWWVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O2/c1-30-21-9-4-18(5-10-21)19-6-11-22-24(26-27-29(22)15-19)23-16-28(12-13-31-23)14-17-2-7-20(25)8-3-17/h2-11,15,23H,12-14,16H2,1H3.
What are the key properties of 4-[(4-fluorophenyl)methyl]-2-[6-(4-methoxyphenyl)triazolo[1,5-a]pyridin-3-yl]morpholine?
4-[(4-fluorophenyl)methyl]-2-[6-(4-methoxyphenyl)triazolo[1,5-a]pyridin-3-yl]morpholine has a molecular weight of 418.47 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methyl]-2-[6-(4-methoxyphenyl)triazolo[1,5-a]pyridin-3-yl]morpholine is sourced from PubChem (CID 131673620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).