6-imidazo[1,5-a]pyridin-3-ylsulfanyl-N-phenylpyridazine-3-carboxamide

C18H13N5OS — CID 133313388

IUPAC6-imidazo[1,5-a]pyridin-3-ylsulfanyl-N-phenylpyridazine-3-carboxamide
SMILESO=C(Nc1ccccc1)c1ccc(Sc2ncc3ccccn23)nn1
InChIInChI=1S/C18H13N5OS/c24-17(20-13-6-2-1-3-7-13)15-9-10-16(22-21-15)25-18-19-12-14-8-4-5-11-23(14)18/h1-12H,(H,20,24)
InChIKeyANKJVNYNSYAOSG-UHFFFAOYSA-N
MW347.40 g/mol
LogP3.53
Rot. Bonds4

About 6-imidazo[1,5-a]pyridin-3-ylsulfanyl-N-phenylpyridazine-3-carboxamide

6-imidazo[1,5-a]pyridin-3-ylsulfanyl-N-phenylpyridazine-3-carboxamide (PubChem CID 133313388) has the molecular formula C18H13N5OS and a molecular weight of 347.40 g/mol. Its IUPAC name is 6-imidazo[1,5-a]pyridin-3-ylsulfanyl-N-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-imidazo[1,5-a]pyridin-3-ylsulfanyl-N-phenylpyridazine-3-carboxamide
PubChem CID133313388
Molecular FormulaC18H13N5OS
Molecular Weight347.40 g/mol
Exact Mass347.08
IUPAC Name6-imidazo[1,5-a]pyridin-3-ylsulfanyl-N-phenylpyridazine-3-carboxamide
SMILESO=C(Nc1ccccc1)c1ccc(Sc2ncc3ccccn23)nn1
InChIInChI=1S/C18H13N5OS/c24-17(20-13-6-2-1-3-7-13)15-9-10-16(22-21-15)25-18-19-12-14-8-4-5-11-23(14)18/h1-12H,(H,20,24)
InChIKeyANKJVNYNSYAOSG-UHFFFAOYSA-N
XLogP3.53
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpyridazine-3-carboxamide
CID 133313566
6-[[4-amino-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpyridazine-3-carboxamide
CID 133374448
6-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenylpyridazine-3-carboxamide
CID 133313439
2-[4-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)-1,3-thiazol-2-yl]-N-phenylacetamide
CID 47942617
(2R)-2-imidazo[1,5-a]pyridin-3-ylsulfanyl-N-(4-methoxyphenyl)propanamide
CID 27507079
6-(3,5-dimethylpiperidin-1-yl)-N-phenylpyridazine-3-carboxamide
CID 133313211
6-(cycloheptylamino)-N-phenylpyridazine-3-carboxamide
CID 109124960
N,N-diethyl-4-[(2-imidazo[1,5-a]pyridin-3-ylsulfanylacetyl)amino]benzamide
CID 31662428
2-[(2-imidazo[1,5-a]pyridin-3-ylsulfanylacetyl)amino]-N-propan-2-ylbenzamide
CID 36982823
(2R)-N-(2-chlorophenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylpropanamide
CID 40792477
5-hydrazinyl-N-phenylpyridine-2-carboxamide
CID 104642260
5-carbamothioyl-N-phenylpyridine-2-carboxamide
CID 63723576

Frequently Asked Questions

What is the IUPAC name of 6-imidazo[1,5-a]pyridin-3-ylsulfanyl-N-phenylpyridazine-3-carboxamide?
The IUPAC name of 6-imidazo[1,5-a]pyridin-3-ylsulfanyl-N-phenylpyridazine-3-carboxamide (CID 133313388) is 6-imidazo[1,5-a]pyridin-3-ylsulfanyl-N-phenylpyridazine-3-carboxamide.
What is the SMILES notation for 6-imidazo[1,5-a]pyridin-3-ylsulfanyl-N-phenylpyridazine-3-carboxamide?
The canonical SMILES for 6-imidazo[1,5-a]pyridin-3-ylsulfanyl-N-phenylpyridazine-3-carboxamide is O=C(Nc1ccccc1)c1ccc(Sc2ncc3ccccn23)nn1.
What is the InChIKey of 6-imidazo[1,5-a]pyridin-3-ylsulfanyl-N-phenylpyridazine-3-carboxamide?
The InChIKey is ANKJVNYNSYAOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5OS/c24-17(20-13-6-2-1-3-7-13)15-9-10-16(22-21-15)25-18-19-12-14-8-4-5-11-23(14)18/h1-12H,(H,20,24).
What are the key properties of 6-imidazo[1,5-a]pyridin-3-ylsulfanyl-N-phenylpyridazine-3-carboxamide?
6-imidazo[1,5-a]pyridin-3-ylsulfanyl-N-phenylpyridazine-3-carboxamide has a molecular weight of 347.40 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imidazo[1,5-a]pyridin-3-ylsulfanyl-N-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 133313388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).