cyclohexyl 6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxylate;cyclohexyl 6-[2-(methylcarbamoylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxylate;3-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(oxan-4-yl)quinoline-5-carboxamide;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(oxan-4-yl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide

C97H92N18O12S5 — CID 165021790

About cyclohexyl 6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxylate;cyclohexyl 6-[2-(methylcarbamoylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxylate;3-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(oxan-4-yl)quinoline-5-carboxamide;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(oxan-4-yl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide

cyclohexyl 6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxylate;cyclohexyl 6-[2-(methylcarbamoylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxylate;3-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(oxan-4-yl)quinoline-5-carboxamide;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(oxan-4-yl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide (PubChem CID 165021790) has the molecular formula C97H92N18O12S5 and a molecular weight of 1862.25 g/mol. Its IUPAC name is cyclohexyl 6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxylate;cyclohexyl 6-[2-(methylcarbamoylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxylate;3-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(oxan-4-yl)quinoline-5-carboxamide;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(oxan-4-yl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: cyclohexyl 6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxylate;cyclohexyl 6-[2-(methylcarbamoylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxylate;3-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(oxan-4-yl)quinoline-5-carboxamide;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(oxan-4-yl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide
• PubChem CID: 165021790
• Molecular Formula: C97H92N18O12S5
• Molecular Weight: 1862.25 g/mol
• Exact Mass: 1860.57
• IUPAC Name: cyclohexyl 6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxylate;cyclohexyl 6-[2-(methylcarbamoylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxylate;3-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(oxan-4-yl)quinoline-5-carboxamide;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(oxan-4-yl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide
• SMILES: CNC(=O)Nc1nc2ccc(-c3cnc4ccn(C(=O)OC5CCCCC5)c4c3)cc2s1.O=C(NC1CCOCC1)c1cccc2ncc(-c3ccc4nc(NC(=O)C5CC5)sc4c3)cc12.O=C(NC1CCOCC1)c1nsc2ncc(-c3ccc4nc(NC(=O)C5CC5)sc4c3)cc12.O=C(Nc1nc2ccc(-c3cnc4ccn(C(=O)OC5CCCCC5)c4c3)cc2s1)C1CC1
• InChI: InChI=1S/C26H24N4O3S.C25H24N4O3S.C23H21N5O3S2.C23H23N5O3S/c31-24(15-4-5-15)30-26-29-22-7-6-16(13-23(22)34-26)17-12-20-19(2-1-3-21(20)27-14-17)25(32)28-18-8-10-33-11-9-18;30-23(15-6-7-15)28-24-27-20-9-8-16(13-22(20)33-24)17-12-21-19(26-14-17)10-11-29(21)25(31)32-18-4-2-1-3-5-18;29-20(12-1-2-12)27-23-26-17-4-3-13(10-18(17)32-23)14-9-16-19(28-33-22(16)24-11-14)21(30)25-15-5-7-31-8-6-15;1-24-21(29)27-22-26-18-8-7-14(12-20(18)32-22)15-11-19-17(25-13-15)9-10-28(19)23(30)31-16-5-3-2-4-6-16/h1-3,6-7,12-15,18H,4-5,8-11H2,(H,28,32)(H,29,30,31);8-15,18H,1-7H2,(H,27,28,30);3-4,9-12,15H,1-2,5-8H2,(H,25,30)(H,26,27,29);7-13,16H,2-6H2,1H3,(H2,24,26,27,29)
• InChIKey: LGRAJRYHMLNRDX-UHFFFAOYSA-N
• XLogP: 20.35
• TPSA: 383.56 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 28
• Rotatable Bonds: 17
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1862.25
LogP ≤ 5	20.35
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxylate;cyclohexyl 6-[2-(methylcarbamoylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxylate;3-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(oxan-4-yl)quinoline-5-carboxamide;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(oxan-4-yl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide?

The IUPAC name of cyclohexyl 6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxylate;cyclohexyl 6-[2-(methylcarbamoylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxylate;3-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(oxan-4-yl)quinoline-5-carboxamide;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(oxan-4-yl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide (CID 165021790) is cyclohexyl 6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxylate;cyclohexyl 6-[2-(methylcarbamoylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxylate;3-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(oxan-4-yl)quinoline-5-carboxamide;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(oxan-4-yl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide.

What is the SMILES notation for cyclohexyl 6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxylate;cyclohexyl 6-[2-(methylcarbamoylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxylate;3-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(oxan-4-yl)quinoline-5-carboxamide;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(oxan-4-yl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide?

The canonical SMILES for cyclohexyl 6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxylate;cyclohexyl 6-[2-(methylcarbamoylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxylate;3-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(oxan-4-yl)quinoline-5-carboxamide;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(oxan-4-yl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide is CNC(=O)Nc1nc2ccc(-c3cnc4ccn(C(=O)OC5CCCCC5)c4c3)cc2s1.O=C(NC1CCOCC1)c1cccc2ncc(-c3ccc4nc(NC(=O)C5CC5)sc4c3)cc12.O=C(NC1CCOCC1)c1nsc2ncc(-c3ccc4nc(NC(=O)C5CC5)sc4c3)cc12.O=C(Nc1nc2ccc(-c3cnc4ccn(C(=O)OC5CCCCC5)c4c3)cc2s1)C1CC1.

What is the InChIKey of cyclohexyl 6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxylate;cyclohexyl 6-[2-(methylcarbamoylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxylate;3-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(oxan-4-yl)quinoline-5-carboxamide;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(oxan-4-yl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide?

The InChIKey is LGRAJRYHMLNRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3S.C25H24N4O3S.C23H21N5O3S2.C23H23N5O3S/c31-24(15-4-5-15)30-26-29-22-7-6-16(13-23(22)34-26)17-12-20-19(2-1-3-21(20)27-14-17)25(32)28-18-8-10-33-11-9-18;30-23(15-6-7-15)28-24-27-20-9-8-16(13-22(20)33-24)17-12-21-19(26-14-17)10-11-29(21)25(31)32-18-4-2-1-3-5-18;29-20(12-1-2-12)27-23-26-17-4-3-13(10-18(17)32-23)14-9-16-19(28-33-22(16)24-11-14)21(30)25-15-5-7-31-8-6-15;1-24-21(29)27-22-26-18-8-7-14(12-20(18)32-22)15-11-19-17(25-13-15)9-10-28(19)23(30)31-16-5-3-2-4-6-16/h1-3,6-7,12-15,18H,4-5,8-11H2,(H,28,32)(H,29,30,31);8-15,18H,1-7H2,(H,27,28,30);3-4,9-12,15H,1-2,5-8H2,(H,25,30)(H,26,27,29);7-13,16H,2-6H2,1H3,(H2,24,26,27,29).

What are the key properties of cyclohexyl 6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxylate;cyclohexyl 6-[2-(methylcarbamoylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxylate;3-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(oxan-4-yl)quinoline-5-carboxamide;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(oxan-4-yl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide?

cyclohexyl 6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxylate;cyclohexyl 6-[2-(methylcarbamoylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxylate;3-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(oxan-4-yl)quinoline-5-carboxamide;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(oxan-4-yl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide has a molecular weight of 1862.25 g/mol, XLogP of 20.35, 17 rotatable bonds, 7 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for cyclohexyl 6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxylate;cyclohexyl 6-[2-(methylcarbamoylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxylate;3-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(oxan-4-yl)quinoline-5-carboxamide;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(oxan-4-yl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide is sourced from PubChem (CID 165021790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).