(4-methylphenyl)-[2-(6-pyridin-4-yltriazolo[1,5-a]pyridin-3-yl)morpholin-4-yl]methanone;2,2,2-trifluoroacetic acid

C25H22F3N5O4 — CID 155852687

IUPAC(4-methylphenyl)-[2-(6-pyridin-4-yltriazolo[1,5-a]pyridin-3-yl)morpholin-4-yl]methanone;2,2,2-trifluoroacetic acid
SMILESCc1ccc(C(=O)N2CCOC(c3nnn4cc(-c5ccncc5)ccc34)C2)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C23H21N5O2.C2HF3O2/c1-16-2-4-18(5-3-16)23(29)27-12-13-30-21(15-27)22-20-7-6-19(14-28(20)26-25-22)17-8-10-24-11-9-17;3-2(4,5)1(6)7/h2-11,14,21H,12-13,15H2,1H3;(H,6,7)
InChIKeyRVYRYKOUNFQQFI-UHFFFAOYSA-N
MW513.48 g/mol
LogP3.95
Rot. Bonds3

About (4-methylphenyl)-[2-(6-pyridin-4-yltriazolo[1,5-a]pyridin-3-yl)morpholin-4-yl]methanone;2,2,2-trifluoroacetic acid

(4-methylphenyl)-[2-(6-pyridin-4-yltriazolo[1,5-a]pyridin-3-yl)morpholin-4-yl]methanone;2,2,2-trifluoroacetic acid (PubChem CID 155852687) has the molecular formula C25H22F3N5O4 and a molecular weight of 513.48 g/mol. Its IUPAC name is (4-methylphenyl)-[2-(6-pyridin-4-yltriazolo[1,5-a]pyridin-3-yl)morpholin-4-yl]methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(4-methylphenyl)-[2-(6-pyridin-4-yltriazolo[1,5-a]pyridin-3-yl)morpholin-4-yl]methanone;2,2,2-trifluoroacetic acid
PubChem CID155852687
Molecular FormulaC25H22F3N5O4
Molecular Weight513.48 g/mol
Exact Mass513.16
IUPAC Name(4-methylphenyl)-[2-(6-pyridin-4-yltriazolo[1,5-a]pyridin-3-yl)morpholin-4-yl]methanone;2,2,2-trifluoroacetic acid
SMILESCc1ccc(C(=O)N2CCOC(c3nnn4cc(-c5ccncc5)ccc34)C2)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C23H21N5O2.C2HF3O2/c1-16-2-4-18(5-3-16)23(29)27-12-13-30-21(15-27)22-20-7-6-19(14-28(20)26-25-22)17-8-10-24-11-9-17;3-2(4,5)1(6)7/h2-11,14,21H,12-13,15H2,1H3;(H,6,7)
InChIKeyRVYRYKOUNFQQFI-UHFFFAOYSA-N
XLogP3.95
TPSA109.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.48
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (4-methylphenyl)-[2-(6-pyridin-4-yltriazolo[1,5-a]pyridin-3-yl)morpholin-4-yl]methanone;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

pyridin-4-yl-[3-(6-pyridin-4-yltriazolo[1,5-a]pyridin-3-yl)pyrrolidin-1-yl]methanone;bis(2,2,2-trifluoroacetic acid)
CID 155866696
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
[2-(6-phenyltriazolo[1,5-a]pyridin-3-yl)morpholin-4-yl]-pyridin-2-ylmethanone
CID 131673609
[2-[6-(4-methoxyphenyl)triazolo[1,5-a]pyridin-3-yl]morpholin-4-yl]-thiophen-3-ylmethanone
CID 131670981
[3-[6-(3-fluorophenyl)triazolo[1,5-a]pyridin-3-yl]-4-methylpiperazin-1-yl]-pyridin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid)
CID 155862934
2-(6-phenyltriazolo[1,5-a]pyridin-3-yl)-4-(pyridin-2-ylmethyl)morpholine;bis(2,2,2-trifluoroacetic acid)
CID 155834497
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-3-ylmethyl)-2-(6-phenyltriazolo[1,5-a]pyridin-3-yl)morpholine;2,2,2-trifluoroacetic acid
CID 155831144
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
3-[4-[(4-fluorophenyl)methyl]-1-methylpiperazin-2-yl]-6-pyridin-4-yltriazolo[1,5-a]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 171694661
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
1,2-oxazol-5-yl-[2-(6-pyrrolidin-1-yltriazolo[1,5-a]pyridin-3-yl)morpholin-4-yl]methanone
CID 131671010

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-[2-(6-pyridin-4-yltriazolo[1,5-a]pyridin-3-yl)morpholin-4-yl]methanone;2,2,2-trifluoroacetic acid?
The IUPAC name of (4-methylphenyl)-[2-(6-pyridin-4-yltriazolo[1,5-a]pyridin-3-yl)morpholin-4-yl]methanone;2,2,2-trifluoroacetic acid (CID 155852687) is (4-methylphenyl)-[2-(6-pyridin-4-yltriazolo[1,5-a]pyridin-3-yl)morpholin-4-yl]methanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (4-methylphenyl)-[2-(6-pyridin-4-yltriazolo[1,5-a]pyridin-3-yl)morpholin-4-yl]methanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for (4-methylphenyl)-[2-(6-pyridin-4-yltriazolo[1,5-a]pyridin-3-yl)morpholin-4-yl]methanone;2,2,2-trifluoroacetic acid is Cc1ccc(C(=O)N2CCOC(c3nnn4cc(-c5ccncc5)ccc34)C2)cc1.O=C(O)C(F)(F)F.
What is the InChIKey of (4-methylphenyl)-[2-(6-pyridin-4-yltriazolo[1,5-a]pyridin-3-yl)morpholin-4-yl]methanone;2,2,2-trifluoroacetic acid?
The InChIKey is RVYRYKOUNFQQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2.C2HF3O2/c1-16-2-4-18(5-3-16)23(29)27-12-13-30-21(15-27)22-20-7-6-19(14-28(20)26-25-22)17-8-10-24-11-9-17;3-2(4,5)1(6)7/h2-11,14,21H,12-13,15H2,1H3;(H,6,7).
What are the key properties of (4-methylphenyl)-[2-(6-pyridin-4-yltriazolo[1,5-a]pyridin-3-yl)morpholin-4-yl]methanone;2,2,2-trifluoroacetic acid?
(4-methylphenyl)-[2-(6-pyridin-4-yltriazolo[1,5-a]pyridin-3-yl)morpholin-4-yl]methanone;2,2,2-trifluoroacetic acid has a molecular weight of 513.48 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-[2-(6-pyridin-4-yltriazolo[1,5-a]pyridin-3-yl)morpholin-4-yl]methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155852687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).