N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide

C25H22N4O3S — CID 122283662

IUPACN-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide
SMILESCc1ccc(-c2cn3ccccc3n2)cc1NS(=O)(=O)c1cc2c3c(c1)CCN3C(=O)CC2
InChIInChI=1S/C25H22N4O3S/c1-16-5-6-17(22-15-28-10-3-2-4-23(28)26-22)14-21(16)27-33(31,32)20-12-18-7-8-24(30)29-11-9-19(13-20)25(18)29/h2-6,10,12-15,27H,7-9,11H2,1H3
InChIKeyORQOSEMZDKADHF-UHFFFAOYSA-N
MW458.54 g/mol
LogP3.95
Rot. Bonds4

About N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide

N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide (PubChem CID 122283662) has the molecular formula C25H22N4O3S and a molecular weight of 458.54 g/mol. Its IUPAC name is N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide.

Molecular Properties

Compound NameN-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide
PubChem CID122283662
Molecular FormulaC25H22N4O3S
Molecular Weight458.54 g/mol
Exact Mass458.14
IUPAC NameN-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide
SMILESCc1ccc(-c2cn3ccccc3n2)cc1NS(=O)(=O)c1cc2c3c(c1)CCN3C(=O)CC2
InChIInChI=1S/C25H22N4O3S/c1-16-5-6-17(22-15-28-10-3-2-4-23(28)26-22)14-21(16)27-33(31,32)20-12-18-7-8-24(30)29-11-9-19(13-20)25(18)29/h2-6,10,12-15,27H,7-9,11H2,1H3
InChIKeyORQOSEMZDKADHF-UHFFFAOYSA-N
XLogP3.95
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.54
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide with MolForge

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Related Compounds

4-cyano-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)benzenesulfonamide
CID 122283678
N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)ethanesulfonamide
CID 23608319
4-(2,5-dioxopyrrolidin-1-yl)-N-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide
CID 122283841
N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 122283515
11-oxo-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide
CID 122286495
4-chloro-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methoxyphenyl)benzenesulfonamide
CID 122323097
2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridine
CID 735320
3-chloro-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methoxyphenyl)-4-methoxybenzenesulfonamide
CID 122323277
1-(1,2-benzoxazol-3-yl)-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)methanesulfonamide
CID 122283665
2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridine;hydrobromide
CID 19234119
2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridine;hydroiodide
CID 45134937
4-ethoxy-N-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide
CID 23608342

Frequently Asked Questions

What is the IUPAC name of N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide?
The IUPAC name of N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide (CID 122283662) is N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide.
What is the SMILES notation for N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide?
The canonical SMILES for N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide is Cc1ccc(-c2cn3ccccc3n2)cc1NS(=O)(=O)c1cc2c3c(c1)CCN3C(=O)CC2.
What is the InChIKey of N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide?
The InChIKey is ORQOSEMZDKADHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O3S/c1-16-5-6-17(22-15-28-10-3-2-4-23(28)26-22)14-21(16)27-33(31,32)20-12-18-7-8-24(30)29-11-9-19(13-20)25(18)29/h2-6,10,12-15,27H,7-9,11H2,1H3.
What are the key properties of N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide?
N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide has a molecular weight of 458.54 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide is sourced from PubChem (CID 122283662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).