5-(1-butylsulfonylpyrazol-4-yl)-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine

C26H32N6O3S — CID 59589775

IUPAC5-(1-butylsulfonylpyrazol-4-yl)-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCCCCS(=O)(=O)n1cc(-c2cccc3nc(Cc4ccc(OCCN5CCCC5)cc4)nn23)cn1
InChIInChI=1S/C26H32N6O3S/c1-2-3-17-36(33,34)31-20-22(19-27-31)24-7-6-8-26-28-25(29-32(24)26)18-21-9-11-23(12-10-21)35-16-15-30-13-4-5-14-30/h6-12,19-20H,2-5,13-18H2,1H3
InChIKeyXJWYHVWVGMZNON-UHFFFAOYSA-N
MW508.65 g/mol
LogP3.64
Rot. Bonds11

About 5-(1-butylsulfonylpyrazol-4-yl)-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine

5-(1-butylsulfonylpyrazol-4-yl)-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 59589775) has the molecular formula C26H32N6O3S and a molecular weight of 508.65 g/mol. Its IUPAC name is 5-(1-butylsulfonylpyrazol-4-yl)-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name5-(1-butylsulfonylpyrazol-4-yl)-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID59589775
Molecular FormulaC26H32N6O3S
Molecular Weight508.65 g/mol
Exact Mass508.23
IUPAC Name5-(1-butylsulfonylpyrazol-4-yl)-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCCCCS(=O)(=O)n1cc(-c2cccc3nc(Cc4ccc(OCCN5CCCC5)cc4)nn23)cn1
InChIInChI=1S/C26H32N6O3S/c1-2-3-17-36(33,34)31-20-22(19-27-31)24-7-6-8-26-28-25(29-32(24)26)18-21-9-11-23(12-10-21)35-16-15-30-13-4-5-14-30/h6-12,19-20H,2-5,13-18H2,1H3
InChIKeyXJWYHVWVGMZNON-UHFFFAOYSA-N
XLogP3.64
TPSA94.62 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.65
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

5-(1-pentylsulfonylpyrazol-4-yl)-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 59589806
5-(1-pentylpyrazol-4-yl)-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 59589944
5-(1-propylsulfonylpyrazol-4-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 158110479
5-(1-ethylpyrazol-4-yl)-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 59590142
2-[4-[2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]ethyl methanesulfonate
CID 158761981
5-[1-(2-methylpropyl)pyrazol-4-yl]-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 59589748
5-[1-[(3-methoxyphenyl)methylsulfonyl]pyrazol-4-yl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 159926023
5-(1-cyclohexylsulfonylpyrazol-4-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 158110481
5-(1-propylpyrazol-4-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 158444772
5-[3-[(4-methoxyphenyl)methoxy]phenyl]-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 59589851
N-[(4-methoxyphenyl)methyl]-4-[2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]aniline
CID 59589933
5-[1-(2-ethylbutyl)pyrazol-4-yl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 158444775

Frequently Asked Questions

What is the IUPAC name of 5-(1-butylsulfonylpyrazol-4-yl)-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 5-(1-butylsulfonylpyrazol-4-yl)-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine (CID 59589775) is 5-(1-butylsulfonylpyrazol-4-yl)-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 5-(1-butylsulfonylpyrazol-4-yl)-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 5-(1-butylsulfonylpyrazol-4-yl)-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine is CCCCS(=O)(=O)n1cc(-c2cccc3nc(Cc4ccc(OCCN5CCCC5)cc4)nn23)cn1.
What is the InChIKey of 5-(1-butylsulfonylpyrazol-4-yl)-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is XJWYHVWVGMZNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O3S/c1-2-3-17-36(33,34)31-20-22(19-27-31)24-7-6-8-26-28-25(29-32(24)26)18-21-9-11-23(12-10-21)35-16-15-30-13-4-5-14-30/h6-12,19-20H,2-5,13-18H2,1H3.
What are the key properties of 5-(1-butylsulfonylpyrazol-4-yl)-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine?
5-(1-butylsulfonylpyrazol-4-yl)-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 508.65 g/mol, XLogP of 3.64, 11 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-butylsulfonylpyrazol-4-yl)-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 59589775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).