N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)pyridine-4-carboxamide;bis(N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-indazol-1-ylpyridine-4-carboxamide);N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-indol-1-ylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]pyrazine-2-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-pyrrol-1-ylpyridine-4-carboxamide

C140H141N33O24S6 — CID 161448726

About N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)pyridine-4-carboxamide;bis(N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-indazol-1-ylpyridine-4-carboxamide);N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-indol-1-ylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]pyrazine-2-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-pyrrol-1-ylpyridine-4-carboxamide

N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)pyridine-4-carboxamide;bis(N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-indazol-1-ylpyridine-4-carboxamide);N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-indol-1-ylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]pyrazine-2-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-pyrrol-1-ylpyridine-4-carboxamide (PubChem CID 161448726) has the molecular formula C140H141N33O24S6 and a molecular weight of 2862.28 g/mol. Its IUPAC name is N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)pyridine-4-carboxamide;bis(N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-indazol-1-ylpyridine-4-carboxamide);N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-indol-1-ylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]pyrazine-2-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-pyrrol-1-ylpyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)pyridine-4-carboxamide;bis(N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-indazol-1-ylpyridine-4-carboxamide);N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-indol-1-ylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]pyrazine-2-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-pyrrol-1-ylpyridine-4-carboxamide
• PubChem CID: 161448726
• Molecular Formula: C140H141N33O24S6
• Molecular Weight: 2862.28 g/mol
• Exact Mass: 2859.92
• IUPAC Name: N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)pyridine-4-carboxamide;bis(N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-indazol-1-ylpyridine-4-carboxamide);N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-indol-1-ylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]pyrazine-2-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-pyrrol-1-ylpyridine-4-carboxamide
• SMILES: CC(C)(COc1cccc2c1C(N)=NS(=O)(=O)C2)NC(=O)c1ccnc(-n2ccc3ccccc32)c1.CC(C)(COc1cccc2c1C(N)=NS(=O)(=O)C2)NC(=O)c1ccnc(-n2cccc2)c1.CC(C)(COc1cccc2c1C(N)=NS(=O)(=O)C2)NC(=O)c1ccnc(-n2ncc3ccccc32)c1.CC(C)(COc1cccc2c1C(N)=NS(=O)(=O)C2)NC(=O)c1ccnc(-n2ncc3ccccc32)c1.CC(C)(COc1cccc2c1C(N)=NS(=O)(=O)C2)NC(=O)c1ccnc(N2CCc3ncccc32)c1.CC(C)(COc1cccc2c1C(N)=NS(=O)(=O)C2)NC(=O)c1cnccn1
• InChI: InChI=1S/C26H25N5O4S.C25H26N6O4S.2C25H24N6O4S.C22H23N5O4S.C17H19N5O4S/c1-26(2,16-35-21-9-5-7-19-15-36(33,34)30-24(27)23(19)21)29-25(32)18-10-12-28-22(14-18)31-13-11-17-6-3-4-8-20(17)31;1-25(2,15-35-20-7-3-5-17-14-36(33,34)30-23(26)22(17)20)29-24(32)16-8-11-28-21(13-16)31-12-9-18-19(31)6-4-10-27-18;2*1-25(2,15-35-20-9-5-7-18-14-36(33,34)30-23(26)22(18)20)29-24(32)16-10-11-27-21(12-16)31-19-8-4-3-6-17(19)13-28-31;1-22(2,25-21(28)15-8-9-24-18(12-15)27-10-3-4-11-27)14-31-17-7-5-6-16-13-32(29,30)26-20(23)19(16)17;1-17(2,21-16(23)12-8-19-6-7-20-12)10-26-13-5-3-4-11-9-27(24,25)22-15(18)14(11)13/h3-14H,15-16H2,1-2H3,(H2,27,30)(H,29,32);3-8,10-11,13H,9,12,14-15H2,1-2H3,(H2,26,30)(H,29,32);2*3-13H,14-15H2,1-2H3,(H2,26,30)(H,29,32);3-12H,13-14H2,1-2H3,(H2,23,26)(H,25,28);3-8H,9-10H2,1-2H3,(H2,18,22)(H,21,23)
• InChIKey: WAFVYENPPMWEMH-UHFFFAOYSA-N
• XLogP: 13.20
• TPSA: 816.96 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 45
• Rotatable Bonds: 35
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2862.28
LogP ≤ 5	13.20
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	45

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)pyridine-4-carboxamide;bis(N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-indazol-1-ylpyridine-4-carboxamide);N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-indol-1-ylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]pyrazine-2-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-pyrrol-1-ylpyridine-4-carboxamide?

The IUPAC name of N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)pyridine-4-carboxamide;bis(N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-indazol-1-ylpyridine-4-carboxamide);N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-indol-1-ylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]pyrazine-2-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-pyrrol-1-ylpyridine-4-carboxamide (CID 161448726) is N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)pyridine-4-carboxamide;bis(N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-indazol-1-ylpyridine-4-carboxamide);N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-indol-1-ylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]pyrazine-2-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-pyrrol-1-ylpyridine-4-carboxamide.

What is the SMILES notation for N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)pyridine-4-carboxamide;bis(N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-indazol-1-ylpyridine-4-carboxamide);N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-indol-1-ylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]pyrazine-2-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-pyrrol-1-ylpyridine-4-carboxamide?

The canonical SMILES for N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)pyridine-4-carboxamide;bis(N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-indazol-1-ylpyridine-4-carboxamide);N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-indol-1-ylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]pyrazine-2-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-pyrrol-1-ylpyridine-4-carboxamide is CC(C)(COc1cccc2c1C(N)=NS(=O)(=O)C2)NC(=O)c1ccnc(-n2ccc3ccccc32)c1.CC(C)(COc1cccc2c1C(N)=NS(=O)(=O)C2)NC(=O)c1ccnc(-n2cccc2)c1.CC(C)(COc1cccc2c1C(N)=NS(=O)(=O)C2)NC(=O)c1ccnc(-n2ncc3ccccc32)c1.CC(C)(COc1cccc2c1C(N)=NS(=O)(=O)C2)NC(=O)c1ccnc(-n2ncc3ccccc32)c1.CC(C)(COc1cccc2c1C(N)=NS(=O)(=O)C2)NC(=O)c1ccnc(N2CCc3ncccc32)c1.CC(C)(COc1cccc2c1C(N)=NS(=O)(=O)C2)NC(=O)c1cnccn1.

What is the InChIKey of N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)pyridine-4-carboxamide;bis(N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-indazol-1-ylpyridine-4-carboxamide);N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-indol-1-ylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]pyrazine-2-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-pyrrol-1-ylpyridine-4-carboxamide?

The InChIKey is WAFVYENPPMWEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O4S.C25H26N6O4S.2C25H24N6O4S.C22H23N5O4S.C17H19N5O4S/c1-26(2,16-35-21-9-5-7-19-15-36(33,34)30-24(27)23(19)21)29-25(32)18-10-12-28-22(14-18)31-13-11-17-6-3-4-8-20(17)31;1-25(2,15-35-20-7-3-5-17-14-36(33,34)30-23(26)22(17)20)29-24(32)16-8-11-28-21(13-16)31-12-9-18-19(31)6-4-10-27-18;2*1-25(2,15-35-20-9-5-7-18-14-36(33,34)30-23(26)22(18)20)29-24(32)16-10-11-27-21(12-16)31-19-8-4-3-6-17(19)13-28-31;1-22(2,25-21(28)15-8-9-24-18(12-15)27-10-3-4-11-27)14-31-17-7-5-6-16-13-32(29,30)26-20(23)19(16)17;1-17(2,21-16(23)12-8-19-6-7-20-12)10-26-13-5-3-4-11-9-27(24,25)22-15(18)14(11)13/h3-14H,15-16H2,1-2H3,(H2,27,30)(H,29,32);3-8,10-11,13H,9,12,14-15H2,1-2H3,(H2,26,30)(H,29,32);2*3-13H,14-15H2,1-2H3,(H2,26,30)(H,29,32);3-12H,13-14H2,1-2H3,(H2,23,26)(H,25,28);3-8H,9-10H2,1-2H3,(H2,18,22)(H,21,23).

What are the key properties of N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)pyridine-4-carboxamide;bis(N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-indazol-1-ylpyridine-4-carboxamide);N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-indol-1-ylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]pyrazine-2-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-pyrrol-1-ylpyridine-4-carboxamide?

N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)pyridine-4-carboxamide;bis(N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-indazol-1-ylpyridine-4-carboxamide);N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-indol-1-ylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]pyrazine-2-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-pyrrol-1-ylpyridine-4-carboxamide has a molecular weight of 2862.28 g/mol, XLogP of 13.20, 35 rotatable bonds, 12 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)pyridine-4-carboxamide;bis(N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-indazol-1-ylpyridine-4-carboxamide);N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-indol-1-ylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]pyrazine-2-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-pyrrol-1-ylpyridine-4-carboxamide is sourced from PubChem (CID 161448726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).