N-(5'-amino-6',6'-dimethyl-1',1'-dioxospiro[1,3-dihydroisochromene-4,3'-2H-1,4-thiazine]-6-yl)-6-cyanoimidazo[1,2-a]pyridine-2-carboxamide

C23H22N6O4S — CID 123791510

IUPACN-(5'-amino-6',6'-dimethyl-1',1'-dioxospiro[1,3-dihydroisochromene-4,3'-2H-1,4-thiazine]-6-yl)-6-cyanoimidazo[1,2-a]pyridine-2-carboxamide
SMILESCC1(C)C(N)=NC2(COCc3ccc(NC(=O)c4cn5cc(C#N)ccc5n4)cc32)CS1(=O)=O
InChIInChI=1S/C23H22N6O4S/c1-22(2)21(25)28-23(13-34(22,31)32)12-33-11-15-4-5-16(7-17(15)23)26-20(30)18-10-29-9-14(8-24)3-6-19(29)27-18/h3-7,9-10H,11-13H2,1-2H3,(H2,25,28)(H,26,30)
InChIKeyPSDNQWJYQLZUFR-UHFFFAOYSA-N
MW478.53 g/mol
LogP1.75
Rot. Bonds2

About N-(5'-amino-6',6'-dimethyl-1',1'-dioxospiro[1,3-dihydroisochromene-4,3'-2H-1,4-thiazine]-6-yl)-6-cyanoimidazo[1,2-a]pyridine-2-carboxamide

N-(5'-amino-6',6'-dimethyl-1',1'-dioxospiro[1,3-dihydroisochromene-4,3'-2H-1,4-thiazine]-6-yl)-6-cyanoimidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 123791510) has the molecular formula C23H22N6O4S and a molecular weight of 478.53 g/mol. Its IUPAC name is N-(5'-amino-6',6'-dimethyl-1',1'-dioxospiro[1,3-dihydroisochromene-4,3'-2H-1,4-thiazine]-6-yl)-6-cyanoimidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(5'-amino-6',6'-dimethyl-1',1'-dioxospiro[1,3-dihydroisochromene-4,3'-2H-1,4-thiazine]-6-yl)-6-cyanoimidazo[1,2-a]pyridine-2-carboxamide
PubChem CID123791510
Molecular FormulaC23H22N6O4S
Molecular Weight478.53 g/mol
Exact Mass478.14
IUPAC NameN-(5'-amino-6',6'-dimethyl-1',1'-dioxospiro[1,3-dihydroisochromene-4,3'-2H-1,4-thiazine]-6-yl)-6-cyanoimidazo[1,2-a]pyridine-2-carboxamide
SMILESCC1(C)C(N)=NC2(COCc3ccc(NC(=O)c4cn5cc(C#N)ccc5n4)cc32)CS1(=O)=O
InChIInChI=1S/C23H22N6O4S/c1-22(2)21(25)28-23(13-34(22,31)32)12-33-11-15-4-5-16(7-17(15)23)26-20(30)18-10-29-9-14(8-24)3-6-19(29)27-18/h3-7,9-10H,11-13H2,1-2H3,(H2,25,28)(H,26,30)
InChIKeyPSDNQWJYQLZUFR-UHFFFAOYSA-N
XLogP1.75
TPSA151.94 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.53
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-(5'-amino-6',6'-dimethyl-1',1'-dioxospiro[1,3-dihydroisochromene-4,3'-2H-1,4-thiazine]-6-yl)-6-cyanoimidazo[1,2-a]pyridine-2-carboxamide with MolForge

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Related Compounds

N-(5'-amino-6',6'-dimethyl-1',1'-dioxospiro[1,3-dihydroisochromene-4,3'-2H-1,4-thiazine]-6-yl)-1-(difluoromethyl)pyrazole-3-carboxamide
CID 123472948
N-(5'-amino-6',6'-dimethyl-1',1'-dioxospiro[1,3-dihydroisochromene-4,3'-2H-1,4-thiazine]-6-yl)-5-methoxy-3-methylpyridine-2-carboxamide
CID 123982742
N-[3-[(3R)-5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 58118826
N-(5'-amino-6',6'-dimethyl-1',1'-dioxospiro[2,3-dihydrochromene-4,3'-2H-1,4-thiazine]-6-yl)-4-chloro-1-methylpyrazole-3-carboxamide
CID 123705785
N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4-fluorophenyl]-1,3-oxazole-4-carboxamide
CID 89094950
N-[3-[(8R)-6-amino-5,8-dimethyl-4,4-dioxo-4λ6-thia-5,7-diazaspiro[2.5]oct-6-en-8-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide
CID 118190070
N-(5-amino-6,6-dimethyl-1,1-dioxospiro[2H-1,4-thiazine-3,8'-6,7-dihydro-5H-naphthalene]-2'-yl)-5-(2-fluoroethoxy)pyrazine-2-carboxamide
CID 123744808
6-cyano-N-phenylimidazo[1,2-a]pyridine-2-carboxamide;6-(hydroxymethyl)-N-phenylimidazo[1,2-a]pyridine-2-carboxamide;6-methoxy-N-phenylimidazo[1,2-a]pyridine-2-carboxamide
CID 158982043
N-[3-[(7R)-9-amino-2,7-dimethyl-5,5-dioxo-5λ6-thia-2,8-diazaspiro[3.5]non-8-en-7-yl]-4-fluorophenyl]-5-cyano-3-(difluoromethyl)pyridine-2-carboxamide
CID 85471907
N-[3-[(3R)-5-amino-3-methyl-1,1-dioxo-2,6-dihydro-1,4-thiazin-3-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide
CID 72548198
N-[3-(5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl)-4-fluorophenyl]-5-fluoropyridine-2-carboxamide
CID 77143112
N-[3-(5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl)-4-fluorophenyl]-4-chlorobenzamide
CID 77143136

Frequently Asked Questions

What is the IUPAC name of N-(5'-amino-6',6'-dimethyl-1',1'-dioxospiro[1,3-dihydroisochromene-4,3'-2H-1,4-thiazine]-6-yl)-6-cyanoimidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-(5'-amino-6',6'-dimethyl-1',1'-dioxospiro[1,3-dihydroisochromene-4,3'-2H-1,4-thiazine]-6-yl)-6-cyanoimidazo[1,2-a]pyridine-2-carboxamide (CID 123791510) is N-(5'-amino-6',6'-dimethyl-1',1'-dioxospiro[1,3-dihydroisochromene-4,3'-2H-1,4-thiazine]-6-yl)-6-cyanoimidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-(5'-amino-6',6'-dimethyl-1',1'-dioxospiro[1,3-dihydroisochromene-4,3'-2H-1,4-thiazine]-6-yl)-6-cyanoimidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-(5'-amino-6',6'-dimethyl-1',1'-dioxospiro[1,3-dihydroisochromene-4,3'-2H-1,4-thiazine]-6-yl)-6-cyanoimidazo[1,2-a]pyridine-2-carboxamide is CC1(C)C(N)=NC2(COCc3ccc(NC(=O)c4cn5cc(C#N)ccc5n4)cc32)CS1(=O)=O.
What is the InChIKey of N-(5'-amino-6',6'-dimethyl-1',1'-dioxospiro[1,3-dihydroisochromene-4,3'-2H-1,4-thiazine]-6-yl)-6-cyanoimidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is PSDNQWJYQLZUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O4S/c1-22(2)21(25)28-23(13-34(22,31)32)12-33-11-15-4-5-16(7-17(15)23)26-20(30)18-10-29-9-14(8-24)3-6-19(29)27-18/h3-7,9-10H,11-13H2,1-2H3,(H2,25,28)(H,26,30).
What are the key properties of N-(5'-amino-6',6'-dimethyl-1',1'-dioxospiro[1,3-dihydroisochromene-4,3'-2H-1,4-thiazine]-6-yl)-6-cyanoimidazo[1,2-a]pyridine-2-carboxamide?
N-(5'-amino-6',6'-dimethyl-1',1'-dioxospiro[1,3-dihydroisochromene-4,3'-2H-1,4-thiazine]-6-yl)-6-cyanoimidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 478.53 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5'-amino-6',6'-dimethyl-1',1'-dioxospiro[1,3-dihydroisochromene-4,3'-2H-1,4-thiazine]-6-yl)-6-cyanoimidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 123791510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).