5-(4-fluoro-3-methoxyphenyl)-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine

C26H27FN4O2 — CID 59589881

IUPAC5-(4-fluoro-3-methoxyphenyl)-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1cc(-c2cccc3nc(Cc4ccc(OCCN5CCCC5)cc4)nn23)ccc1F
InChIInChI=1S/C26H27FN4O2/c1-32-24-18-20(9-12-22(24)27)23-5-4-6-26-28-25(29-31(23)26)17-19-7-10-21(11-8-19)33-16-15-30-13-2-3-14-30/h4-12,18H,2-3,13-17H2,1H3
InChIKeyIJXBJITYBXGHCK-UHFFFAOYSA-N
MW446.53 g/mol
LogP4.61
Rot. Bonds8

About 5-(4-fluoro-3-methoxyphenyl)-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine

5-(4-fluoro-3-methoxyphenyl)-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 59589881) has the molecular formula C26H27FN4O2 and a molecular weight of 446.53 g/mol. Its IUPAC name is 5-(4-fluoro-3-methoxyphenyl)-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name5-(4-fluoro-3-methoxyphenyl)-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID59589881
Molecular FormulaC26H27FN4O2
Molecular Weight446.53 g/mol
Exact Mass446.21
IUPAC Name5-(4-fluoro-3-methoxyphenyl)-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1cc(-c2cccc3nc(Cc4ccc(OCCN5CCCC5)cc4)nn23)ccc1F
InChIInChI=1S/C26H27FN4O2/c1-32-24-18-20(9-12-22(24)27)23-5-4-6-26-28-25(29-31(23)26)17-19-7-10-21(11-8-19)33-16-15-30-13-2-3-14-30/h4-12,18H,2-3,13-17H2,1H3
InChIKeyIJXBJITYBXGHCK-UHFFFAOYSA-N
XLogP4.61
TPSA51.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-diethyl-2-(2-(4-(2-fluoroethoxy)phenyl)-5,7-dimethylpyrazolo(1,5-a)pyrimidin-3-yl)acetamide
CID 24895172
Bms-561388
CID 9908904
Triazolopyridazine, 18
CID 42647289
N,N-Diethyl-(2-(4-(2-(18F)fluoroethoxy)phenyl)-5,7-dimethylpyrazolo(1,5-A)pyrimidine-3-YL)acetamide
CID 23582365
Methyl substituted pyrazole, 28
CID 23648676
Triazolopyridazine, 17
CID 44143459
6-[(2-Methyl-1,2,4-triazol-3-yl)methoxy]-3,7-diphenyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 11574515
2-(2-(4-(3-fluoropropoxy)phenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-N,N-diethylacetamide
CID 24895170
5-(3-methoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59186487
2-(5,7-diethyl-2-(4-(2-fluoroethoxy)phenyl)pyrazolo(1,5-a)pyrimidin-3-yl)-N,N-diethylacetamide
CID 71625548
3,6-Bis(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 134179263
3,6-Bis(4-propan-2-yloxyphenyl)imidazo[1,2-b]pyridazine
CID 134179384

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-3-methoxyphenyl)-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 5-(4-fluoro-3-methoxyphenyl)-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine (CID 59589881) is 5-(4-fluoro-3-methoxyphenyl)-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 5-(4-fluoro-3-methoxyphenyl)-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 5-(4-fluoro-3-methoxyphenyl)-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine is COc1cc(-c2cccc3nc(Cc4ccc(OCCN5CCCC5)cc4)nn23)ccc1F.
What is the InChIKey of 5-(4-fluoro-3-methoxyphenyl)-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is IJXBJITYBXGHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN4O2/c1-32-24-18-20(9-12-22(24)27)23-5-4-6-26-28-25(29-31(23)26)17-19-7-10-21(11-8-19)33-16-15-30-13-2-3-14-30/h4-12,18H,2-3,13-17H2,1H3.
What are the key properties of 5-(4-fluoro-3-methoxyphenyl)-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine?
5-(4-fluoro-3-methoxyphenyl)-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 446.53 g/mol, XLogP of 4.61, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-3-methoxyphenyl)-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 59589881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).