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

C26H32N6O — CID 59589748

IUPAC5-[1-(2-methylpropyl)pyrazol-4-yl]-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCC(C)Cn1cc(-c2cccc3nc(Cc4ccc(OCCN5CCCC5)cc4)nn23)cn1
InChIInChI=1S/C26H32N6O/c1-20(2)18-31-19-22(17-27-31)24-6-5-7-26-28-25(29-32(24)26)16-21-8-10-23(11-9-21)33-15-14-30-12-3-4-13-30/h5-11,17,19-20H,3-4,12-16,18H2,1-2H3
InChIKeyAWVGJNIUDZHHIB-UHFFFAOYSA-N
MW444.58 g/mol
LogP4.31
Rot. Bonds9

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

5-[1-(2-methylpropyl)pyrazol-4-yl]-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 59589748) has the molecular formula C26H32N6O and a molecular weight of 444.58 g/mol. Its IUPAC name is 5-[1-(2-methylpropyl)pyrazol-4-yl]-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name5-[1-(2-methylpropyl)pyrazol-4-yl]-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID59589748
Molecular FormulaC26H32N6O
Molecular Weight444.58 g/mol
Exact Mass444.26
IUPAC Name5-[1-(2-methylpropyl)pyrazol-4-yl]-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCC(C)Cn1cc(-c2cccc3nc(Cc4ccc(OCCN5CCCC5)cc4)nn23)cn1
InChIInChI=1S/C26H32N6O/c1-20(2)18-31-19-22(17-27-31)24-6-5-7-26-28-25(29-32(24)26)16-21-8-10-23(11-9-21)33-15-14-30-12-3-4-13-30/h5-11,17,19-20H,3-4,12-16,18H2,1-2H3
InChIKeyAWVGJNIUDZHHIB-UHFFFAOYSA-N
XLogP4.31
TPSA60.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-(1-ethylpyrazol-4-yl)-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 59590142
5-(1-pentylpyrazol-4-yl)-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 59589944
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-(3-methylbutyl)pyrazol-4-yl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 159825128
5-(1-butylsulfonylpyrazol-4-yl)-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 59589775
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
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-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-propylpyrazol-4-yl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59589769
2-[4-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]acetic acid
CID 59589906

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-methylpropyl)pyrazol-4-yl]-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 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) is 5-[1-(2-methylpropyl)pyrazol-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-(2-methylpropyl)pyrazol-4-yl]-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 5-[1-(2-methylpropyl)pyrazol-4-yl]-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine is CC(C)Cn1cc(-c2cccc3nc(Cc4ccc(OCCN5CCCC5)cc4)nn23)cn1.
What is the InChIKey of 5-[1-(2-methylpropyl)pyrazol-4-yl]-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is AWVGJNIUDZHHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O/c1-20(2)18-31-19-22(17-27-31)24-6-5-7-26-28-25(29-32(24)26)16-21-8-10-23(11-9-21)33-15-14-30-12-3-4-13-30/h5-11,17,19-20H,3-4,12-16,18H2,1-2H3.
What are the key properties of 5-[1-(2-methylpropyl)pyrazol-4-yl]-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine?
5-[1-(2-methylpropyl)pyrazol-4-yl]-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 444.58 g/mol, XLogP of 4.31, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-methylpropyl)pyrazol-4-yl]-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 59589748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).