5-bromo-N-[2-(hydroxymethyl)-2-methylbutyl]pyrazolo[1,5-a]pyridine-3-carboxamide

C14H18BrN3O2 — CID 166672990

IUPAC5-bromo-N-[2-(hydroxymethyl)-2-methylbutyl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCCC(C)(CO)CNC(=O)c1cnn2ccc(Br)cc12
InChIInChI=1S/C14H18BrN3O2/c1-3-14(2,9-19)8-16-13(20)11-7-17-18-5-4-10(15)6-12(11)18/h4-7,19H,3,8-9H2,1-2H3,(H,16,20)
InChIKeyKTRKHIUOOFVZJS-UHFFFAOYSA-N
MW340.22 g/mol
LogP2.24
Rot. Bonds5

About 5-bromo-N-[2-(hydroxymethyl)-2-methylbutyl]pyrazolo[1,5-a]pyridine-3-carboxamide

5-bromo-N-[2-(hydroxymethyl)-2-methylbutyl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 166672990) has the molecular formula C14H18BrN3O2 and a molecular weight of 340.22 g/mol. Its IUPAC name is 5-bromo-N-[2-(hydroxymethyl)-2-methylbutyl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(hydroxymethyl)-2-methylbutyl]pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID166672990
Molecular FormulaC14H18BrN3O2
Molecular Weight340.22 g/mol
Exact Mass339.06
IUPAC Name5-bromo-N-[2-(hydroxymethyl)-2-methylbutyl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCCC(C)(CO)CNC(=O)c1cnn2ccc(Br)cc12
InChIInChI=1S/C14H18BrN3O2/c1-3-14(2,9-19)8-16-13(20)11-7-17-18-5-4-10(15)6-12(11)18/h4-7,19H,3,8-9H2,1-2H3,(H,16,20)
InChIKeyKTRKHIUOOFVZJS-UHFFFAOYSA-N
XLogP2.24
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethyl-2-hydroxybutyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 103711850
N-[2-(bromomethyl)-2-ethylbutyl]pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 106255619
N-(4-bromo-2,2-dimethylbutyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 114149424
1-(5-bromopyrazolo[1,5-a]pyridin-3-yl)propan-2-one
CID 83900635
1-(5-bromopyrazolo[1,5-a]pyridin-3-yl)ethylidenehydrazine
CID 91514959
2,2-dimethyl-3-[(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoic acid
CID 119249566
5-bromo-N-[2-methyl-5-(5-methyltetrazol-2-yl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 171655813
[3-[2-(trifluoromethoxy)ethylcarbamoyl]pyrazolo[1,5-a]pyridin-5-yl]carbamic acid
CID 130475612
N-[(3-bromo-4-hydroxyphenyl)methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 122146876
N-[2-(ethylamino)ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 113265553
N-(2-fluoro-2-methylpropyl)-5-[2-(2,2,2-trifluoroethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 168773621
N-[(4-ethylcyclohexyl)methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 136524835

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(hydroxymethyl)-2-methylbutyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[2-(hydroxymethyl)-2-methylbutyl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 166672990) is 5-bromo-N-[2-(hydroxymethyl)-2-methylbutyl]pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(hydroxymethyl)-2-methylbutyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(hydroxymethyl)-2-methylbutyl]pyrazolo[1,5-a]pyridine-3-carboxamide is CCC(C)(CO)CNC(=O)c1cnn2ccc(Br)cc12.
What is the InChIKey of 5-bromo-N-[2-(hydroxymethyl)-2-methylbutyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is KTRKHIUOOFVZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O2/c1-3-14(2,9-19)8-16-13(20)11-7-17-18-5-4-10(15)6-12(11)18/h4-7,19H,3,8-9H2,1-2H3,(H,16,20).
What are the key properties of 5-bromo-N-[2-(hydroxymethyl)-2-methylbutyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
5-bromo-N-[2-(hydroxymethyl)-2-methylbutyl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 340.22 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(hydroxymethyl)-2-methylbutyl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 166672990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).