5-iodo-N-(6-pyrazol-1-yl-3-pyridinyl)thiophene-3-carboxamide

C13H9IN4OS — CID 78948608

IUPAC5-iodo-N-(6-pyrazol-1-yl-3-pyridinyl)thiophene-3-carboxamide
SMILESO=C(Nc1ccc(-n2cccn2)nc1)c1csc(I)c1
InChIInChI=1S/C13H9IN4OS/c14-11-6-9(8-20-11)13(19)17-10-2-3-12(15-7-10)18-5-1-4-16-18/h1-8H,(H,17,19)
InChIKeyCWDYLVZEZTZXFN-UHFFFAOYSA-N
MW396.21 g/mol
LogP3.19
Rot. Bonds3

About 5-iodo-N-(6-pyrazol-1-yl-3-pyridinyl)thiophene-3-carboxamide

5-iodo-N-(6-pyrazol-1-yl-3-pyridinyl)thiophene-3-carboxamide (PubChem CID 78948608) has the molecular formula C13H9IN4OS and a molecular weight of 396.21 g/mol. Its IUPAC name is 5-iodo-N-(6-pyrazol-1-yl-3-pyridinyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-iodo-N-(6-pyrazol-1-yl-3-pyridinyl)thiophene-3-carboxamide
PubChem CID78948608
Molecular FormulaC13H9IN4OS
Molecular Weight396.21 g/mol
Exact Mass395.95
IUPAC Name5-iodo-N-(6-pyrazol-1-yl-3-pyridinyl)thiophene-3-carboxamide
SMILESO=C(Nc1ccc(-n2cccn2)nc1)c1csc(I)c1
InChIInChI=1S/C13H9IN4OS/c14-11-6-9(8-20-11)13(19)17-10-2-3-12(15-7-10)18-5-1-4-16-18/h1-8H,(H,17,19)
InChIKeyCWDYLVZEZTZXFN-UHFFFAOYSA-N
XLogP3.19
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.21
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(6-pyrazol-1-yl-3-pyridinyl)pyridine-4-carboxamide
CID 103754177
N-(6-pyrazol-1-yl-3-pyridinyl)acetamide
CID 47153389
3-(4-bromophenyl)-N-(6-pyrazol-1-yl-3-pyridinyl)-1H-pyrazole-5-carboxamide
CID 46554089
N-(6-pyrazol-1-yl-3-pyridinyl)prop-2-enamide
CID 43698782
N-(4-iodo-3-pyridin-2-ylphenyl)-6-pyrazol-1-ylpyridine-3-carboxamide
CID 70953926
N-(3-fluorophenyl)-6-pyrazol-1-ylpyridine-3-carboxamide
CID 16654238
6-fluoro-N-(6-pyrazol-1-yl-3-pyridinyl)pyridine-2-carboxamide
CID 115497231
3,4-dimethyl-N-[2-oxo-2-[(6-pyrazol-1-yl-3-pyridinyl)amino]ethyl]benzamide
CID 75523152
N-(2,4-difluorophenyl)-6-pyrazol-1-ylpyridine-3-carboxamide
CID 3567091
2-phenyl-N-(6-pyrazol-1-yl-3-pyridinyl)quinoline-4-carboxamide
CID 55560796
3-methyl-N-(6-pyrazol-1-yl-3-pyridinyl)butanamide
CID 25349174
N-(6-pyrazol-1-yl-3-pyridinyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
CID 55560720

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-(6-pyrazol-1-yl-3-pyridinyl)thiophene-3-carboxamide?
The IUPAC name of 5-iodo-N-(6-pyrazol-1-yl-3-pyridinyl)thiophene-3-carboxamide (CID 78948608) is 5-iodo-N-(6-pyrazol-1-yl-3-pyridinyl)thiophene-3-carboxamide.
What is the SMILES notation for 5-iodo-N-(6-pyrazol-1-yl-3-pyridinyl)thiophene-3-carboxamide?
The canonical SMILES for 5-iodo-N-(6-pyrazol-1-yl-3-pyridinyl)thiophene-3-carboxamide is O=C(Nc1ccc(-n2cccn2)nc1)c1csc(I)c1.
What is the InChIKey of 5-iodo-N-(6-pyrazol-1-yl-3-pyridinyl)thiophene-3-carboxamide?
The InChIKey is CWDYLVZEZTZXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9IN4OS/c14-11-6-9(8-20-11)13(19)17-10-2-3-12(15-7-10)18-5-1-4-16-18/h1-8H,(H,17,19).
What are the key properties of 5-iodo-N-(6-pyrazol-1-yl-3-pyridinyl)thiophene-3-carboxamide?
5-iodo-N-(6-pyrazol-1-yl-3-pyridinyl)thiophene-3-carboxamide has a molecular weight of 396.21 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-(6-pyrazol-1-yl-3-pyridinyl)thiophene-3-carboxamide is sourced from PubChem (CID 78948608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).