2-(6-phenyltriazolo[1,5-a]pyridin-3-yl)-4-(pyridin-2-ylmethyl)morpholine;bis(2,2,2-trifluoroacetic acid)

C26H23F6N5O5 — CID 155834497

IUPAC2-(6-phenyltriazolo[1,5-a]pyridin-3-yl)-4-(pyridin-2-ylmethyl)morpholine;bis(2,2,2-trifluoroacetic acid)
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1ccc(-c2ccc3c(C4CN(Cc5ccccn5)CCO4)nnn3c2)cc1
InChIInChI=1S/C22H21N5O.2C2HF3O2/c1-2-6-17(7-3-1)18-9-10-20-22(24-25-27(20)14-18)21-16-26(12-13-28-21)15-19-8-4-5-11-23-19;2*3-2(4,5)1(6)7/h1-11,14,21H,12-13,15-16H2;2*(H,6,7)
InChIKeyUIHRHDNEOSJYCU-UHFFFAOYSA-N
MW599.49 g/mol
LogP4.63
Rot. Bonds4

About 2-(6-phenyltriazolo[1,5-a]pyridin-3-yl)-4-(pyridin-2-ylmethyl)morpholine;bis(2,2,2-trifluoroacetic acid)

2-(6-phenyltriazolo[1,5-a]pyridin-3-yl)-4-(pyridin-2-ylmethyl)morpholine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 155834497) has the molecular formula C26H23F6N5O5 and a molecular weight of 599.49 g/mol. Its IUPAC name is 2-(6-phenyltriazolo[1,5-a]pyridin-3-yl)-4-(pyridin-2-ylmethyl)morpholine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name2-(6-phenyltriazolo[1,5-a]pyridin-3-yl)-4-(pyridin-2-ylmethyl)morpholine;bis(2,2,2-trifluoroacetic acid)
PubChem CID155834497
Molecular FormulaC26H23F6N5O5
Molecular Weight599.49 g/mol
Exact Mass599.16
IUPAC Name2-(6-phenyltriazolo[1,5-a]pyridin-3-yl)-4-(pyridin-2-ylmethyl)morpholine;bis(2,2,2-trifluoroacetic acid)
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1ccc(-c2ccc3c(C4CN(Cc5ccccn5)CCO4)nnn3c2)cc1
InChIInChI=1S/C22H21N5O.2C2HF3O2/c1-2-6-17(7-3-1)18-9-10-20-22(24-25-27(20)14-18)21-16-26(12-13-28-21)15-19-8-4-5-11-23-19;2*3-2(4,5)1(6)7/h1-11,14,21H,12-13,15-16H2;2*(H,6,7)
InChIKeyUIHRHDNEOSJYCU-UHFFFAOYSA-N
XLogP4.63
TPSA130.15 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500599.49
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-(furan-3-ylmethyl)-2-(6-phenyltriazolo[1,5-a]pyridin-3-yl)morpholine;2,2,2-trifluoroacetic acid
CID 155831144
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-(4-methylphenyl)triazolo[1,5-a]pyridin-3-yl]-4-(1,3-thiazol-2-ylmethyl)morpholine;2,2,2-trifluoroacetic acid
CID 155825790
4-[(6-methyl-2-pyridinyl)methyl]-2-(6-phenyltriazolo[1,5-a]pyridin-3-yl)morpholine
CID 131673601
4-(1,3-benzodioxol-5-ylmethyl)-2-(6-pyridin-3-yltriazolo[1,5-a]pyridin-3-yl)morpholine;bis(2,2,2-trifluoroacetic acid)
CID 155830800
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-phenyltriazolo[1,5-a]pyridin-3-yl)morpholin-4-yl]-pyridin-2-ylmethanone
CID 131673609
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
2-[6-(4-methylphenyl)triazolo[1,5-a]pyridin-3-yl]-4-[(6-methyl-2-pyridinyl)methyl]morpholine
CID 131671017
(4-methylphenyl)-[2-(6-pyridin-4-yltriazolo[1,5-a]pyridin-3-yl)morpholin-4-yl]methanone;2,2,2-trifluoroacetic acid
CID 155852687
6-pyridin-4-yl-2-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridine;tris(2,2,2-trifluoroacetic acid)
CID 155828085
6-pyridin-4-yl-2-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 171695344

Frequently Asked Questions

What is the IUPAC name of 2-(6-phenyltriazolo[1,5-a]pyridin-3-yl)-4-(pyridin-2-ylmethyl)morpholine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 2-(6-phenyltriazolo[1,5-a]pyridin-3-yl)-4-(pyridin-2-ylmethyl)morpholine;bis(2,2,2-trifluoroacetic acid) (CID 155834497) is 2-(6-phenyltriazolo[1,5-a]pyridin-3-yl)-4-(pyridin-2-ylmethyl)morpholine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 2-(6-phenyltriazolo[1,5-a]pyridin-3-yl)-4-(pyridin-2-ylmethyl)morpholine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 2-(6-phenyltriazolo[1,5-a]pyridin-3-yl)-4-(pyridin-2-ylmethyl)morpholine;bis(2,2,2-trifluoroacetic acid) is O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1ccc(-c2ccc3c(C4CN(Cc5ccccn5)CCO4)nnn3c2)cc1.
What is the InChIKey of 2-(6-phenyltriazolo[1,5-a]pyridin-3-yl)-4-(pyridin-2-ylmethyl)morpholine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is UIHRHDNEOSJYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O.2C2HF3O2/c1-2-6-17(7-3-1)18-9-10-20-22(24-25-27(20)14-18)21-16-26(12-13-28-21)15-19-8-4-5-11-23-19;2*3-2(4,5)1(6)7/h1-11,14,21H,12-13,15-16H2;2*(H,6,7).
What are the key properties of 2-(6-phenyltriazolo[1,5-a]pyridin-3-yl)-4-(pyridin-2-ylmethyl)morpholine;bis(2,2,2-trifluoroacetic acid)?
2-(6-phenyltriazolo[1,5-a]pyridin-3-yl)-4-(pyridin-2-ylmethyl)morpholine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 599.49 g/mol, XLogP of 4.63, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-phenyltriazolo[1,5-a]pyridin-3-yl)-4-(pyridin-2-ylmethyl)morpholine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155834497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).