(1-methylidene-1-oxo-1,4-thiazinan-4-yl)-[1-methyl-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)indazol-3-yl]methanone;[3-(methyl-methylidene-oxo-λ6-sulfanyl)pyrrolidin-1-yl]-[1-methyl-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)indazol-3-yl]methanone;1-methyl-N-(3-methylsulfonylpropyl)-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)indazole-3-carboxamide;(4-methylpiperazin-1-yl)-[1-methyl-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)indazol-3-yl]methanone;[(3R)-3-methylpyrrolidin-1-yl]-[1-methyl-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)indazol-3-yl]methanone;[1-methyl-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)indazol-3-yl]-piperidin-1-ylmethanone

C126H135N37O10S3 — CID 158202160

About (1-methylidene-1-oxo-1,4-thiazinan-4-yl)-[1-methyl-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)indazol-3-yl]methanone;[3-(methyl-methylidene-oxo-λ6-sulfanyl)pyrrolidin-1-yl]-[1-methyl-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)indazol-3-yl]methanone;1-methyl-N-(3-methylsulfonylpropyl)-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)indazole-3-carboxamide;(4-methylpiperazin-1-yl)-[1-methyl-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)indazol-3-yl]methanone;[(3R)-3-methylpyrrolidin-1-yl]-[1-methyl-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)indazol-3-yl]methanone;[1-methyl-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)indazol-3-yl]-piperidin-1-ylmethanone

(1-methylidene-1-oxo-1,4-thiazinan-4-yl)-[1-methyl-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)indazol-3-yl]methanone;[3-(methyl-methylidene-oxo-λ6-sulfanyl)pyrrolidin-1-yl]-[1-methyl-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)indazol-3-yl]methanone;1-methyl-N-(3-methylsulfonylpropyl)-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)indazole-3-carboxamide;(4-methylpiperazin-1-yl)-[1-methyl-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)indazol-3-yl]methanone;[(3R)-3-methylpyrrolidin-1-yl]-[1-methyl-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)indazol-3-yl]methanone;[1-methyl-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)indazol-3-yl]-piperidin-1-ylmethanone (PubChem CID 158202160) has the molecular formula C126H135N37O10S3 and a molecular weight of 2423.92 g/mol. Its IUPAC name is (1-methylidene-1-oxo-1,4-thiazinan-4-yl)-[1-methyl-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)indazol-3-yl]methanone;[3-(methyl-methylidene-oxo-λ6-sulfanyl)pyrrolidin-1-yl]-[1-methyl-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)indazol-3-yl]methanone;1-methyl-N-(3-methylsulfonylpropyl)-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)indazole-3-carboxamide;(4-methylpiperazin-1-yl)-[1-methyl-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)indazol-3-yl]methanone;[(3R)-3-methylpyrrolidin-1-yl]-[1-methyl-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)indazol-3-yl]methanone;[1-methyl-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)indazol-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

• Compound Name: (1-methylidene-1-oxo-1,4-thiazinan-4-yl)-[1-methyl-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)indazol-3-yl]methanone;[3-(methyl-methylidene-oxo-λ6-sulfanyl)pyrrolidin-1-yl]-[1-methyl-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)indazol-3-yl]methanone;1-methyl-N-(3-methylsulfonylpropyl)-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)indazole-3-carboxamide;(4-methylpiperazin-1-yl)-[1-methyl-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)indazol-3-yl]methanone;[(3R)-3-methylpyrrolidin-1-yl]-[1-methyl-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)indazol-3-yl]methanone;[1-methyl-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)indazol-3-yl]-piperidin-1-ylmethanone
• PubChem CID: 158202160
• Molecular Formula: C126H135N37O10S3
• Molecular Weight: 2423.92 g/mol
• Exact Mass: 2422.04
• IUPAC Name: (1-methylidene-1-oxo-1,4-thiazinan-4-yl)-[1-methyl-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)indazol-3-yl]methanone;[3-(methyl-methylidene-oxo-λ6-sulfanyl)pyrrolidin-1-yl]-[1-methyl-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)indazol-3-yl]methanone;1-methyl-N-(3-methylsulfonylpropyl)-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)indazole-3-carboxamide;(4-methylpiperazin-1-yl)-[1-methyl-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)indazol-3-yl]methanone;[(3R)-3-methylpyrrolidin-1-yl]-[1-methyl-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)indazol-3-yl]methanone;[1-methyl-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)indazol-3-yl]-piperidin-1-ylmethanone
• SMILES: C=S(C)(=O)C1CCN(C(=O)c2nn(C)c3cc(NC4=NCc5cccnc54)ccc23)C1.C=S1(=O)CCN(C(=O)c2nn(C)c3cc(NC4=NCc5cccnc54)ccc23)CC1.CN1CCN(C(=O)c2nn(C)c3cc(NC4=NCc5cccnc54)ccc23)CC1.C[C@@H]1CCN(C(=O)c2nn(C)c3cc(NC4=NCc5cccnc54)ccc23)C1.Cn1nc(C(=O)N2CCCCC2)c2ccc(NC3=NCc4cccnc43)cc21.Cn1nc(C(=O)NCCCS(C)(=O)=O)c2ccc(NC3=NCc4cccnc43)cc21
• InChI: InChI=1S/C22H24N6O2S.C21H23N7O.C21H22N6O2S.2C21H22N6O.C20H22N6O3S/c1-27-18-11-15(25-21-19-14(12-24-21)5-4-9-23-19)6-7-17(18)20(26-27)22(29)28-10-8-16(13-28)31(2,3)30;1-26-8-10-28(11-9-26)21(29)19-16-6-5-15(12-17(16)27(2)25-19)24-20-18-14(13-23-20)4-3-7-22-18;1-26-17-12-15(24-20-18-14(13-23-20)4-3-7-22-18)5-6-16(17)19(25-26)21(28)27-8-10-30(2,29)11-9-27;1-13-7-9-27(12-13)21(28)19-16-6-5-15(10-17(16)26(2)25-19)24-20-18-14(11-23-20)4-3-8-22-18;1-26-17-12-15(24-20-18-14(13-23-20)6-5-9-22-18)7-8-16(17)19(25-26)21(28)27-10-3-2-4-11-27;1-26-16-11-14(24-19-17-13(12-23-19)5-3-8-21-17)6-7-15(16)18(25-26)20(27)22-9-4-10-30(2,28)29/h4-7,9,11,16H,2,8,10,12-13H2,1,3H3,(H,24,25);3-7,12H,8-11,13H2,1-2H3,(H,23,24);3-7,12H,2,8-11,13H2,1H3,(H,23,24);3-6,8,10,13H,7,9,11-12H2,1-2H3,(H,23,24);5-9,12H,2-4,10-11,13H2,1H3,(H,23,24);3,5-8,11H,4,9-10,12H2,1-2H3,(H,22,27)(H,23,24)/t;;;13-;;/m...1../s1
• InChIKey: GBBMHDSPVPLSAJ-JDMNLKFDSA-N
• XLogP: 12.44
• TPSA: 532.77 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 41
• Rotatable Bonds: 17
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2423.92
LogP ≤ 5	12.44
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (1-methylidene-1-oxo-1,4-thiazinan-4-yl)-[1-methyl-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)indazol-3-yl]methanone;[3-(methyl-methylidene-oxo-λ6-sulfanyl)pyrrolidin-1-yl]-[1-methyl-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)indazol-3-yl]methanone;1-methyl-N-(3-methylsulfonylpropyl)-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)indazole-3-carboxamide;(4-methylpiperazin-1-yl)-[1-methyl-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)indazol-3-yl]methanone;[(3R)-3-methylpyrrolidin-1-yl]-[1-methyl-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)indazol-3-yl]methanone;[1-methyl-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)indazol-3-yl]-piperidin-1-ylmethanone?

The IUPAC name of (1-methylidene-1-oxo-1,4-thiazinan-4-yl)-[1-methyl-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)indazol-3-yl]methanone;[3-(methyl-methylidene-oxo-λ6-sulfanyl)pyrrolidin-1-yl]-[1-methyl-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)indazol-3-yl]methanone;1-methyl-N-(3-methylsulfonylpropyl)-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)indazole-3-carboxamide;(4-methylpiperazin-1-yl)-[1-methyl-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)indazol-3-yl]methanone;[(3R)-3-methylpyrrolidin-1-yl]-[1-methyl-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)indazol-3-yl]methanone;[1-methyl-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)indazol-3-yl]-piperidin-1-ylmethanone (CID 158202160) is (1-methylidene-1-oxo-1,4-thiazinan-4-yl)-[1-methyl-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)indazol-3-yl]methanone;[3-(methyl-methylidene-oxo-λ6-sulfanyl)pyrrolidin-1-yl]-[1-methyl-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)indazol-3-yl]methanone;1-methyl-N-(3-methylsulfonylpropyl)-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)indazole-3-carboxamide;(4-methylpiperazin-1-yl)-[1-methyl-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)indazol-3-yl]methanone;[(3R)-3-methylpyrrolidin-1-yl]-[1-methyl-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)indazol-3-yl]methanone;[1-methyl-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)indazol-3-yl]-piperidin-1-ylmethanone.

What is the SMILES notation for (1-methylidene-1-oxo-1,4-thiazinan-4-yl)-[1-methyl-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)indazol-3-yl]methanone;[3-(methyl-methylidene-oxo-λ6-sulfanyl)pyrrolidin-1-yl]-[1-methyl-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)indazol-3-yl]methanone;1-methyl-N-(3-methylsulfonylpropyl)-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)indazole-3-carboxamide;(4-methylpiperazin-1-yl)-[1-methyl-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)indazol-3-yl]methanone;[(3R)-3-methylpyrrolidin-1-yl]-[1-methyl-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)indazol-3-yl]methanone;[1-methyl-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)indazol-3-yl]-piperidin-1-ylmethanone?

The canonical SMILES for (1-methylidene-1-oxo-1,4-thiazinan-4-yl)-[1-methyl-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)indazol-3-yl]methanone;[3-(methyl-methylidene-oxo-λ6-sulfanyl)pyrrolidin-1-yl]-[1-methyl-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)indazol-3-yl]methanone;1-methyl-N-(3-methylsulfonylpropyl)-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)indazole-3-carboxamide;(4-methylpiperazin-1-yl)-[1-methyl-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)indazol-3-yl]methanone;[(3R)-3-methylpyrrolidin-1-yl]-[1-methyl-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)indazol-3-yl]methanone;[1-methyl-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)indazol-3-yl]-piperidin-1-ylmethanone is C=S(C)(=O)C1CCN(C(=O)c2nn(C)c3cc(NC4=NCc5cccnc54)ccc23)C1.C=S1(=O)CCN(C(=O)c2nn(C)c3cc(NC4=NCc5cccnc54)ccc23)CC1.CN1CCN(C(=O)c2nn(C)c3cc(NC4=NCc5cccnc54)ccc23)CC1.C[C@@H]1CCN(C(=O)c2nn(C)c3cc(NC4=NCc5cccnc54)ccc23)C1.Cn1nc(C(=O)N2CCCCC2)c2ccc(NC3=NCc4cccnc43)cc21.Cn1nc(C(=O)NCCCS(C)(=O)=O)c2ccc(NC3=NCc4cccnc43)cc21.

What is the InChIKey of (1-methylidene-1-oxo-1,4-thiazinan-4-yl)-[1-methyl-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)indazol-3-yl]methanone;[3-(methyl-methylidene-oxo-λ6-sulfanyl)pyrrolidin-1-yl]-[1-methyl-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)indazol-3-yl]methanone;1-methyl-N-(3-methylsulfonylpropyl)-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)indazole-3-carboxamide;(4-methylpiperazin-1-yl)-[1-methyl-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)indazol-3-yl]methanone;[(3R)-3-methylpyrrolidin-1-yl]-[1-methyl-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)indazol-3-yl]methanone;[1-methyl-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)indazol-3-yl]-piperidin-1-ylmethanone?

The InChIKey is GBBMHDSPVPLSAJ-JDMNLKFDSA-N. The full InChI is InChI=1S/C22H24N6O2S.C21H23N7O.C21H22N6O2S.2C21H22N6O.C20H22N6O3S/c1-27-18-11-15(25-21-19-14(12-24-21)5-4-9-23-19)6-7-17(18)20(26-27)22(29)28-10-8-16(13-28)31(2,3)30;1-26-8-10-28(11-9-26)21(29)19-16-6-5-15(12-17(16)27(2)25-19)24-20-18-14(13-23-20)4-3-7-22-18;1-26-17-12-15(24-20-18-14(13-23-20)4-3-7-22-18)5-6-16(17)19(25-26)21(28)27-8-10-30(2,29)11-9-27;1-13-7-9-27(12-13)21(28)19-16-6-5-15(10-17(16)26(2)25-19)24-20-18-14(11-23-20)4-3-8-22-18;1-26-17-12-15(24-20-18-14(13-23-20)6-5-9-22-18)7-8-16(17)19(25-26)21(28)27-10-3-2-4-11-27;1-26-16-11-14(24-19-17-13(12-23-19)5-3-8-21-17)6-7-15(16)18(25-26)20(27)22-9-4-10-30(2,28)29/h4-7,9,11,16H,2,8,10,12-13H2,1,3H3,(H,24,25);3-7,12H,8-11,13H2,1-2H3,(H,23,24);3-7,12H,2,8-11,13H2,1H3,(H,23,24);3-6,8,10,13H,7,9,11-12H2,1-2H3,(H,23,24);5-9,12H,2-4,10-11,13H2,1H3,(H,23,24);3,5-8,11H,4,9-10,12H2,1-2H3,(H,22,27)(H,23,24)/t;;;13-;;/m...1../s1.

What are the key properties of (1-methylidene-1-oxo-1,4-thiazinan-4-yl)-[1-methyl-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)indazol-3-yl]methanone;[3-(methyl-methylidene-oxo-λ6-sulfanyl)pyrrolidin-1-yl]-[1-methyl-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)indazol-3-yl]methanone;1-methyl-N-(3-methylsulfonylpropyl)-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)indazole-3-carboxamide;(4-methylpiperazin-1-yl)-[1-methyl-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)indazol-3-yl]methanone;[(3R)-3-methylpyrrolidin-1-yl]-[1-methyl-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)indazol-3-yl]methanone;[1-methyl-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)indazol-3-yl]-piperidin-1-ylmethanone?

(1-methylidene-1-oxo-1,4-thiazinan-4-yl)-[1-methyl-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)indazol-3-yl]methanone;[3-(methyl-methylidene-oxo-λ6-sulfanyl)pyrrolidin-1-yl]-[1-methyl-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)indazol-3-yl]methanone;1-methyl-N-(3-methylsulfonylpropyl)-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)indazole-3-carboxamide;(4-methylpiperazin-1-yl)-[1-methyl-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)indazol-3-yl]methanone;[(3R)-3-methylpyrrolidin-1-yl]-[1-methyl-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)indazol-3-yl]methanone;[1-methyl-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)indazol-3-yl]-piperidin-1-ylmethanone has a molecular weight of 2423.92 g/mol, XLogP of 12.44, 17 rotatable bonds, 7 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for (1-methylidene-1-oxo-1,4-thiazinan-4-yl)-[1-methyl-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)indazol-3-yl]methanone;[3-(methyl-methylidene-oxo-λ6-sulfanyl)pyrrolidin-1-yl]-[1-methyl-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)indazol-3-yl]methanone;1-methyl-N-(3-methylsulfonylpropyl)-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)indazole-3-carboxamide;(4-methylpiperazin-1-yl)-[1-methyl-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)indazol-3-yl]methanone;[(3R)-3-methylpyrrolidin-1-yl]-[1-methyl-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)indazol-3-yl]methanone;[1-methyl-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)indazol-3-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 158202160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).