4-[2-[4-[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyrazol-1-yl]ethyl]morpholine

C23H26N6O3 — CID 162645311

IUPAC4-[2-[4-[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyrazol-1-yl]ethyl]morpholine
SMILESCOc1ccc(-c2nnc3ccc(-c4cnn(CCN5CCOCC5)c4)cn23)cc1OC
InChIInChI=1S/C23H26N6O3/c1-30-20-5-3-17(13-21(20)31-2)23-26-25-22-6-4-18(16-29(22)23)19-14-24-28(15-19)8-7-27-9-11-32-12-10-27/h3-6,13-16H,7-12H2,1-2H3
InChIKeyKRSXWTWMFLWDFL-UHFFFAOYSA-N
MW434.50 g/mol
LogP2.61
Rot. Bonds7

About 4-[2-[4-[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyrazol-1-yl]ethyl]morpholine

4-[2-[4-[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyrazol-1-yl]ethyl]morpholine (PubChem CID 162645311) has the molecular formula C23H26N6O3 and a molecular weight of 434.50 g/mol. Its IUPAC name is 4-[2-[4-[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyrazol-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[4-[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyrazol-1-yl]ethyl]morpholine
PubChem CID162645311
Molecular FormulaC23H26N6O3
Molecular Weight434.50 g/mol
Exact Mass434.21
IUPAC Name4-[2-[4-[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyrazol-1-yl]ethyl]morpholine
SMILESCOc1ccc(-c2nnc3ccc(-c4cnn(CCN5CCOCC5)c4)cn23)cc1OC
InChIInChI=1S/C23H26N6O3/c1-30-20-5-3-17(13-21(20)31-2)23-26-25-22-6-4-18(16-29(22)23)19-14-24-28(15-19)8-7-27-9-11-32-12-10-27/h3-6,13-16H,7-12H2,1-2H3
InChIKeyKRSXWTWMFLWDFL-UHFFFAOYSA-N
XLogP2.61
TPSA78.94 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

4-[3-[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenyl]sulfonylmorpholine
CID 162646279
2-[4-(3,4-dimethoxyphenyl)pyrazol-1-yl]ethanol
CID 94267593
4-[2-[4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)pyrazol-1-yl]ethyl]morpholine
CID 171431398
3-(4-methoxyphenyl)-6-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 162667738
2-[(4-fluorophenyl)methoxy]-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzoic acid
CID 67106893
4-[3-(2-methoxy-5-methylphenoxy)propyl]morpholine
CID 58597190
N-(2-methoxynaphthalen-1-yl)-1-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide
CID 167927281
7-(5-ethyl-6-methoxy-3-pyridinyl)-3-(2-morpholin-4-ylethoxy)pyrido[1,2-a]pyrimidin-4-one
CID 129134184
2-(3,4-dimethoxyphenyl)-4-methyl-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide
CID 36842250
4-[2-[4-[5,7-difluoro-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]ethyl]morpholine
CID 59320221
5-(3,4-dimethoxyphenyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide
CID 15999607
4-[3-[5-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxyphenoxy]propyl]morpholine
CID 20805814

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyrazol-1-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[4-[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyrazol-1-yl]ethyl]morpholine (CID 162645311) is 4-[2-[4-[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyrazol-1-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[4-[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyrazol-1-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[4-[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyrazol-1-yl]ethyl]morpholine is COc1ccc(-c2nnc3ccc(-c4cnn(CCN5CCOCC5)c4)cn23)cc1OC.
What is the InChIKey of 4-[2-[4-[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyrazol-1-yl]ethyl]morpholine?
The InChIKey is KRSXWTWMFLWDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O3/c1-30-20-5-3-17(13-21(20)31-2)23-26-25-22-6-4-18(16-29(22)23)19-14-24-28(15-19)8-7-27-9-11-32-12-10-27/h3-6,13-16H,7-12H2,1-2H3.
What are the key properties of 4-[2-[4-[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyrazol-1-yl]ethyl]morpholine?
4-[2-[4-[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyrazol-1-yl]ethyl]morpholine has a molecular weight of 434.50 g/mol, XLogP of 2.61, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyrazol-1-yl]ethyl]morpholine is sourced from PubChem (CID 162645311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).