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

C27H23F6N5O7 — CID 155830800

IUPAC4-(1,3-benzodioxol-5-ylmethyl)-2-(6-pyridin-3-yltriazolo[1,5-a]pyridin-3-yl)morpholine;bis(2,2,2-trifluoroacetic acid)
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1cncc(-c2ccc3c(C4CN(Cc5ccc6c(c5)OCO6)CCO4)nnn3c2)c1
InChIInChI=1S/C23H21N5O3.2C2HF3O2/c1-2-17(11-24-7-1)18-4-5-19-23(25-26-28(19)13-18)22-14-27(8-9-29-22)12-16-3-6-20-21(10-16)31-15-30-20;2*3-2(4,5)1(6)7/h1-7,10-11,13,22H,8-9,12,14-15H2;2*(H,6,7)
InChIKeyUELZXELMGWZRNL-UHFFFAOYSA-N
MW643.50 g/mol
LogP4.36
Rot. Bonds4

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

4-(1,3-benzodioxol-5-ylmethyl)-2-(6-pyridin-3-yltriazolo[1,5-a]pyridin-3-yl)morpholine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 155830800) has the molecular formula C27H23F6N5O7 and a molecular weight of 643.50 g/mol. Its IUPAC name is 4-(1,3-benzodioxol-5-ylmethyl)-2-(6-pyridin-3-yltriazolo[1,5-a]pyridin-3-yl)morpholine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name4-(1,3-benzodioxol-5-ylmethyl)-2-(6-pyridin-3-yltriazolo[1,5-a]pyridin-3-yl)morpholine;bis(2,2,2-trifluoroacetic acid)
PubChem CID155830800
Molecular FormulaC27H23F6N5O7
Molecular Weight643.50 g/mol
Exact Mass643.15
IUPAC Name4-(1,3-benzodioxol-5-ylmethyl)-2-(6-pyridin-3-yltriazolo[1,5-a]pyridin-3-yl)morpholine;bis(2,2,2-trifluoroacetic acid)
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1cncc(-c2ccc3c(C4CN(Cc5ccc6c(c5)OCO6)CCO4)nnn3c2)c1
InChIInChI=1S/C23H21N5O3.2C2HF3O2/c1-2-17(11-24-7-1)18-4-5-19-23(25-26-28(19)13-18)22-14-27(8-9-29-22)12-16-3-6-20-21(10-16)31-15-30-20;2*3-2(4,5)1(6)7/h1-7,10-11,13,22H,8-9,12,14-15H2;2*(H,6,7)
InChIKeyUELZXELMGWZRNL-UHFFFAOYSA-N
XLogP4.36
TPSA148.61 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500643.50
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 4-(1,3-benzodioxol-5-ylmethyl)-2-(6-pyridin-3-yltriazolo[1,5-a]pyridin-3-yl)morpholine;bis(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

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-thiophen-2-yltriazolo[1,5-a]pyridin-3-yl)morpholine
CID 131671013
2-(6-phenyltriazolo[1,5-a]pyridin-3-yl)-4-(pyridin-2-ylmethyl)morpholine;bis(2,2,2-trifluoroacetic acid)
CID 155834497
4-(furan-2-ylmethyl)-2-(6-pyridin-3-yltriazolo[1,5-a]pyridin-3-yl)morpholine
CID 131673641
1-[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-2-yl]-6-pyridin-3-ylimidazo[1,5-a]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 155847039
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-(1,3-thiazol-2-ylmethyl)morpholine;2,2,2-trifluoroacetic acid
CID 155825790
3-(1-propan-2-ylpyrrolidin-3-yl)-6-pyridin-3-yltriazolo[1,5-a]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 155860680
2-[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-yl]-6-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 155839179
(4-methylphenyl)-[2-(6-pyridin-4-yltriazolo[1,5-a]pyridin-3-yl)morpholin-4-yl]methanone;2,2,2-trifluoroacetic acid
CID 155852687
4-[(4-methoxyphenyl)methyl]-2-[6-(4-methoxyphenyl)triazolo[1,5-a]pyridin-3-yl]morpholine
CID 131673621

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzodioxol-5-ylmethyl)-2-(6-pyridin-3-yltriazolo[1,5-a]pyridin-3-yl)morpholine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 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) is 4-(1,3-benzodioxol-5-ylmethyl)-2-(6-pyridin-3-yltriazolo[1,5-a]pyridin-3-yl)morpholine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 4-(1,3-benzodioxol-5-ylmethyl)-2-(6-pyridin-3-yltriazolo[1,5-a]pyridin-3-yl)morpholine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 4-(1,3-benzodioxol-5-ylmethyl)-2-(6-pyridin-3-yltriazolo[1,5-a]pyridin-3-yl)morpholine;bis(2,2,2-trifluoroacetic acid) is O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1cncc(-c2ccc3c(C4CN(Cc5ccc6c(c5)OCO6)CCO4)nnn3c2)c1.
What is the InChIKey of 4-(1,3-benzodioxol-5-ylmethyl)-2-(6-pyridin-3-yltriazolo[1,5-a]pyridin-3-yl)morpholine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is UELZXELMGWZRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O3.2C2HF3O2/c1-2-17(11-24-7-1)18-4-5-19-23(25-26-28(19)13-18)22-14-27(8-9-29-22)12-16-3-6-20-21(10-16)31-15-30-20;2*3-2(4,5)1(6)7/h1-7,10-11,13,22H,8-9,12,14-15H2;2*(H,6,7).
What are the key properties of 4-(1,3-benzodioxol-5-ylmethyl)-2-(6-pyridin-3-yltriazolo[1,5-a]pyridin-3-yl)morpholine;bis(2,2,2-trifluoroacetic acid)?
4-(1,3-benzodioxol-5-ylmethyl)-2-(6-pyridin-3-yltriazolo[1,5-a]pyridin-3-yl)morpholine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 643.50 g/mol, XLogP of 4.36, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzodioxol-5-ylmethyl)-2-(6-pyridin-3-yltriazolo[1,5-a]pyridin-3-yl)morpholine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155830800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).