5-imidazo[1,5-a]pyridin-3-ylsulfanyl-8-nitroisoquinoline

C16H10N4O2S — CID 32680217

IUPAC5-imidazo[1,5-a]pyridin-3-ylsulfanyl-8-nitroisoquinoline
SMILESO=[N+]([O-])c1ccc(Sc2ncc3ccccn23)c2ccncc12
InChIInChI=1S/C16H10N4O2S/c21-20(22)14-4-5-15(12-6-7-17-10-13(12)14)23-16-18-9-11-3-1-2-8-19(11)16/h1-10H
InChIKeyWMADQCKSTCRXRM-UHFFFAOYSA-N
MW322.35 g/mol
LogP3.94
Rot. Bonds3

About 5-imidazo[1,5-a]pyridin-3-ylsulfanyl-8-nitroisoquinoline

5-imidazo[1,5-a]pyridin-3-ylsulfanyl-8-nitroisoquinoline (PubChem CID 32680217) has the molecular formula C16H10N4O2S and a molecular weight of 322.35 g/mol. Its IUPAC name is 5-imidazo[1,5-a]pyridin-3-ylsulfanyl-8-nitroisoquinoline.

Molecular Properties

Compound Name5-imidazo[1,5-a]pyridin-3-ylsulfanyl-8-nitroisoquinoline
PubChem CID32680217
Molecular FormulaC16H10N4O2S
Molecular Weight322.35 g/mol
Exact Mass322.05
IUPAC Name5-imidazo[1,5-a]pyridin-3-ylsulfanyl-8-nitroisoquinoline
SMILESO=[N+]([O-])c1ccc(Sc2ncc3ccccn23)c2ccncc12
InChIInChI=1S/C16H10N4O2S/c21-20(22)14-4-5-15(12-6-7-17-10-13(12)14)23-16-18-9-11-3-1-2-8-19(11)16/h1-10H
InChIKeyWMADQCKSTCRXRM-UHFFFAOYSA-N
XLogP3.94
TPSA73.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.35
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

8-nitro-5-phenylsulfanylisoquinoline
CID 55346671
5-(1-benzylimidazol-2-yl)sulfanyl-8-nitroisoquinoline
CID 18194866
1-(4-imidazo[1,5-a]pyridin-3-ylsulfanyl-3-nitrophenyl)ethanone
CID 39743396
4-imidazo[1,5-a]pyridin-3-ylsulfanyl-3-nitrobenzonitrile
CID 27816725
3-(8-nitroisoquinolin-5-yl)sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-amine
CID 133369737
[4-methyl-5-(8-nitroisoquinolin-5-yl)sulfanyl-1,2,4-triazol-3-yl]methanol
CID 133385438
8-nitro-5-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]isoquinoline
CID 55378004
3-(8-nitroisoquinolin-5-yl)sulfanylpropanoic acid
CID 43386295
N-[4-(8-nitroisoquinolin-5-yl)sulfanylphenyl]acetamide
CID 51160095
propan-2-yl 2-(8-nitroisoquinolin-5-yl)sulfanylacetate
CID 133353880
2-imidazo[1,5-a]pyridin-3-ylsulfanyl-N-(2-nitrophenyl)propanamide
CID 46794291
2-(furan-2-yl)-5-(8-nitroisoquinolin-5-yl)sulfanyl-1,3,4-oxadiazole
CID 18194828

Frequently Asked Questions

What is the IUPAC name of 5-imidazo[1,5-a]pyridin-3-ylsulfanyl-8-nitroisoquinoline?
The IUPAC name of 5-imidazo[1,5-a]pyridin-3-ylsulfanyl-8-nitroisoquinoline (CID 32680217) is 5-imidazo[1,5-a]pyridin-3-ylsulfanyl-8-nitroisoquinoline.
What is the SMILES notation for 5-imidazo[1,5-a]pyridin-3-ylsulfanyl-8-nitroisoquinoline?
The canonical SMILES for 5-imidazo[1,5-a]pyridin-3-ylsulfanyl-8-nitroisoquinoline is O=[N+]([O-])c1ccc(Sc2ncc3ccccn23)c2ccncc12.
What is the InChIKey of 5-imidazo[1,5-a]pyridin-3-ylsulfanyl-8-nitroisoquinoline?
The InChIKey is WMADQCKSTCRXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N4O2S/c21-20(22)14-4-5-15(12-6-7-17-10-13(12)14)23-16-18-9-11-3-1-2-8-19(11)16/h1-10H.
What are the key properties of 5-imidazo[1,5-a]pyridin-3-ylsulfanyl-8-nitroisoquinoline?
5-imidazo[1,5-a]pyridin-3-ylsulfanyl-8-nitroisoquinoline has a molecular weight of 322.35 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imidazo[1,5-a]pyridin-3-ylsulfanyl-8-nitroisoquinoline is sourced from PubChem (CID 32680217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).