4-[2-[1-[(4-ethylphenyl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]morpholine;2,2,2-trifluoroacetic acid

C26H32F3N5O3 — CID 171695440

IUPAC4-[2-[1-[(4-ethylphenyl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]morpholine;2,2,2-trifluoroacetic acid
SMILESCCc1ccc(CN2CCCC(c3nc4ccc(N5CCOCC5)cn4n3)C2)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C24H31N5O.C2HF3O2/c1-2-19-5-7-20(8-6-19)16-27-11-3-4-21(17-27)24-25-23-10-9-22(18-29(23)26-24)28-12-14-30-15-13-28;3-2(4,5)1(6)7/h5-10,18,21H,2-4,11-17H2,1H3;(H,6,7)
InChIKeyKJZIKDLZXSWNKB-UHFFFAOYSA-N
MW519.57 g/mol
LogP4.14
Rot. Bonds5

About 4-[2-[1-[(4-ethylphenyl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]morpholine;2,2,2-trifluoroacetic acid

4-[2-[1-[(4-ethylphenyl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]morpholine;2,2,2-trifluoroacetic acid (PubChem CID 171695440) has the molecular formula C26H32F3N5O3 and a molecular weight of 519.57 g/mol. Its IUPAC name is 4-[2-[1-[(4-ethylphenyl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]morpholine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-[2-[1-[(4-ethylphenyl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]morpholine;2,2,2-trifluoroacetic acid
PubChem CID171695440
Molecular FormulaC26H32F3N5O3
Molecular Weight519.57 g/mol
Exact Mass519.25
IUPAC Name4-[2-[1-[(4-ethylphenyl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]morpholine;2,2,2-trifluoroacetic acid
SMILESCCc1ccc(CN2CCCC(c3nc4ccc(N5CCOCC5)cn4n3)C2)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C24H31N5O.C2HF3O2/c1-2-19-5-7-20(8-6-19)16-27-11-3-4-21(17-27)24-25-23-10-9-22(18-29(23)26-24)28-12-14-30-15-13-28;3-2(4,5)1(6)7/h5-10,18,21H,2-4,11-17H2,1H3;(H,6,7)
InChIKeyKJZIKDLZXSWNKB-UHFFFAOYSA-N
XLogP4.14
TPSA83.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.57
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[2-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]morpholine;2,2,2-trifluoroacetic acid
CID 171695646
4-[2-[1-[(3-methylphenyl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]morpholine;2,2,2-trifluoroacetic acid
CID 171695279
4-[2-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]morpholine;bis(2,2,2-trifluoroacetic acid)
CID 155826344
4-[2-[1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]morpholine;bis(2,2,2-trifluoroacetic acid)
CID 155848353
4-[2-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]morpholine;2,2,2-trifluoroacetic acid
CID 171693406
4-[2-[1-[(3-fluorophenyl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]morpholine
CID 131669076
2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 155839671
4-(2-piperidin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)morpholine;bis(2,2,2-trifluoroacetic acid)
CID 155844712
N,N-dimethyl-4-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 171672567
(6-methyl-2-pyridinyl)-[3-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidin-1-yl]methanone;bis(2,2,2-trifluoroacetic acid)
CID 155853426
2-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-6-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 155851279
4-[2-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]morpholine
CID 131669080

Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-[(4-ethylphenyl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]morpholine;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-[2-[1-[(4-ethylphenyl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]morpholine;2,2,2-trifluoroacetic acid (CID 171695440) is 4-[2-[1-[(4-ethylphenyl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]morpholine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-[2-[1-[(4-ethylphenyl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]morpholine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-[2-[1-[(4-ethylphenyl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]morpholine;2,2,2-trifluoroacetic acid is CCc1ccc(CN2CCCC(c3nc4ccc(N5CCOCC5)cn4n3)C2)cc1.O=C(O)C(F)(F)F.
What is the InChIKey of 4-[2-[1-[(4-ethylphenyl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]morpholine;2,2,2-trifluoroacetic acid?
The InChIKey is KJZIKDLZXSWNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O.C2HF3O2/c1-2-19-5-7-20(8-6-19)16-27-11-3-4-21(17-27)24-25-23-10-9-22(18-29(23)26-24)28-12-14-30-15-13-28;3-2(4,5)1(6)7/h5-10,18,21H,2-4,11-17H2,1H3;(H,6,7).
What are the key properties of 4-[2-[1-[(4-ethylphenyl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]morpholine;2,2,2-trifluoroacetic acid?
4-[2-[1-[(4-ethylphenyl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]morpholine;2,2,2-trifluoroacetic acid has a molecular weight of 519.57 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-[(4-ethylphenyl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]morpholine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 171695440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).