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

C12H14BrN3O2 — CID 103122688

IUPACN-(2-bromo-3-methoxypropyl)pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCOCC(Br)CNC(=O)c1cnn2ccccc12
InChIInChI=1S/C12H14BrN3O2/c1-18-8-9(13)6-14-12(17)10-7-15-16-5-3-2-4-11(10)16/h2-5,7,9H,6,8H2,1H3,(H,14,17)
InChIKeyCJZYWWJDBXZOJG-UHFFFAOYSA-N
MW312.17 g/mol
LogP1.47
Rot. Bonds5

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

N-(2-bromo-3-methoxypropyl)pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 103122688) has the molecular formula C12H14BrN3O2 and a molecular weight of 312.17 g/mol. Its IUPAC name is N-(2-bromo-3-methoxypropyl)pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-3-methoxypropyl)pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID103122688
Molecular FormulaC12H14BrN3O2
Molecular Weight312.17 g/mol
Exact Mass311.03
IUPAC NameN-(2-bromo-3-methoxypropyl)pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCOCC(Br)CNC(=O)c1cnn2ccccc12
InChIInChI=1S/C12H14BrN3O2/c1-18-8-9(13)6-14-12(17)10-7-15-16-5-3-2-4-11(10)16/h2-5,7,9H,6,8H2,1H3,(H,14,17)
InChIKeyCJZYWWJDBXZOJG-UHFFFAOYSA-N
XLogP1.47
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.17
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromo-3-methoxypropyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 103122509
N-(3-chloro-2-methylpropyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 103122611
N-[2-(methylamino)propyl]pyrazolo[1,5-a]pyridine-3-carboxamide;hydrochloride
CID 120826687
N-[2-methyl-3-(methylamino)propyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 103806904
(2S)-2-hydroxy-3-(pyrazolo[1,5-a]pyridine-3-carbonylamino)propanoic acid
CID 107833160
N-(4-bromopentyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 114147488
N-(2-chloro-3-ethylpentyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 106287553
N-(4-amino-1-methoxybutan-2-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 106152676
N-(1-chloro-4-methoxybutan-2-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 114211896
N-(2-bromo-3-methoxypropyl)-2-chlorobenzamide
CID 114309984
N-(2-methylprop-2-enyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 104955628
N-(3-bromo-4-methoxybutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 114163401

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-methoxypropyl)pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-(2-bromo-3-methoxypropyl)pyrazolo[1,5-a]pyridine-3-carboxamide (CID 103122688) is N-(2-bromo-3-methoxypropyl)pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-bromo-3-methoxypropyl)pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-(2-bromo-3-methoxypropyl)pyrazolo[1,5-a]pyridine-3-carboxamide is COCC(Br)CNC(=O)c1cnn2ccccc12.
What is the InChIKey of N-(2-bromo-3-methoxypropyl)pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is CJZYWWJDBXZOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O2/c1-18-8-9(13)6-14-12(17)10-7-15-16-5-3-2-4-11(10)16/h2-5,7,9H,6,8H2,1H3,(H,14,17).
What are the key properties of N-(2-bromo-3-methoxypropyl)pyrazolo[1,5-a]pyridine-3-carboxamide?
N-(2-bromo-3-methoxypropyl)pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 312.17 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-methoxypropyl)pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 103122688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).