3,7-dibromo-5-phenyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyridine-2-carboxamide

C19H13Br2N3OS — CID 25189545

IUPAC3,7-dibromo-5-phenyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyridine-2-carboxamide
SMILESO=C(NCc1cccs1)c1nn2c(Br)cc(-c3ccccc3)cc2c1Br
InChIInChI=1S/C19H13Br2N3OS/c20-16-10-13(12-5-2-1-3-6-12)9-15-17(21)18(23-24(15)16)19(25)22-11-14-7-4-8-26-14/h1-10H,11H2,(H,22,25)
InChIKeyXTEHJCOKYPNNHC-UHFFFAOYSA-N
MW491.21 g/mol
LogP5.52
Rot. Bonds4

About 3,7-dibromo-5-phenyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyridine-2-carboxamide

3,7-dibromo-5-phenyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyridine-2-carboxamide (PubChem CID 25189545) has the molecular formula C19H13Br2N3OS and a molecular weight of 491.21 g/mol. Its IUPAC name is 3,7-dibromo-5-phenyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name3,7-dibromo-5-phenyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyridine-2-carboxamide
PubChem CID25189545
Molecular FormulaC19H13Br2N3OS
Molecular Weight491.21 g/mol
Exact Mass488.91
IUPAC Name3,7-dibromo-5-phenyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyridine-2-carboxamide
SMILESO=C(NCc1cccs1)c1nn2c(Br)cc(-c3ccccc3)cc2c1Br
InChIInChI=1S/C19H13Br2N3OS/c20-16-10-13(12-5-2-1-3-6-12)9-15-17(21)18(23-24(15)16)19(25)22-11-14-7-4-8-26-14/h1-10H,11H2,(H,22,25)
InChIKeyXTEHJCOKYPNNHC-UHFFFAOYSA-N
XLogP5.52
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.21
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134794015
2-(4-bromophenyl)-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide
CID 4182040
1-methyl-6-phenyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 134791791
6-bromo-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 103874120
3-(4-fluorophenyl)-1-methyl-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide
CID 121083917
3-(4-bromophenyl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 9247862
N,N'-bis(thiophen-2-ylmethyl)oxamide
CID 6421749
2-bromo-5-hydroxy-N-(thiophen-2-ylmethyl)benzamide
CID 20776955
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
3-cyclopropyl-1-phenyl-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide
CID 9398113
6-(thiophen-2-ylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 43558368
N-(thiophen-2-ylmethylcarbamothioyl)benzamide
CID 892758

Frequently Asked Questions

What is the IUPAC name of 3,7-dibromo-5-phenyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyridine-2-carboxamide?
The IUPAC name of 3,7-dibromo-5-phenyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyridine-2-carboxamide (CID 25189545) is 3,7-dibromo-5-phenyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyridine-2-carboxamide.
What is the SMILES notation for 3,7-dibromo-5-phenyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyridine-2-carboxamide?
The canonical SMILES for 3,7-dibromo-5-phenyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyridine-2-carboxamide is O=C(NCc1cccs1)c1nn2c(Br)cc(-c3ccccc3)cc2c1Br.
What is the InChIKey of 3,7-dibromo-5-phenyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyridine-2-carboxamide?
The InChIKey is XTEHJCOKYPNNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Br2N3OS/c20-16-10-13(12-5-2-1-3-6-12)9-15-17(21)18(23-24(15)16)19(25)22-11-14-7-4-8-26-14/h1-10H,11H2,(H,22,25).
What are the key properties of 3,7-dibromo-5-phenyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyridine-2-carboxamide?
3,7-dibromo-5-phenyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyridine-2-carboxamide has a molecular weight of 491.21 g/mol, XLogP of 5.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dibromo-5-phenyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyridine-2-carboxamide is sourced from PubChem (CID 25189545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).