2-chloro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]quinoline-4-carboxamide;1-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;1-(3H-inden-1-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one;1-(7-methoxy-2-methylquinolin-3-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide;3-(4-morpholin-4-ylsulfonylphenyl)-1-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)propan-1-one

C136H154ClN19O24S6 — CID 158655179

About 2-chloro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]quinoline-4-carboxamide;1-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;1-(3H-inden-1-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one;1-(7-methoxy-2-methylquinolin-3-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide;3-(4-morpholin-4-ylsulfonylphenyl)-1-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)propan-1-one

2-chloro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]quinoline-4-carboxamide;1-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;1-(3H-inden-1-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one;1-(7-methoxy-2-methylquinolin-3-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide;3-(4-morpholin-4-ylsulfonylphenyl)-1-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)propan-1-one (PubChem CID 158655179) has the molecular formula C136H154ClN19O24S6 and a molecular weight of 2666.69 g/mol. Its IUPAC name is 2-chloro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]quinoline-4-carboxamide;1-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;1-(3H-inden-1-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one;1-(7-methoxy-2-methylquinolin-3-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide;3-(4-morpholin-4-ylsulfonylphenyl)-1-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)propan-1-one.

Molecular Properties

• Compound Name: 2-chloro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]quinoline-4-carboxamide;1-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;1-(3H-inden-1-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one;1-(7-methoxy-2-methylquinolin-3-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide;3-(4-morpholin-4-ylsulfonylphenyl)-1-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)propan-1-one
• PubChem CID: 158655179
• Molecular Formula: C136H154ClN19O24S6
• Molecular Weight: 2666.69 g/mol
• Exact Mass: 2663.94
• IUPAC Name: 2-chloro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]quinoline-4-carboxamide;1-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;1-(3H-inden-1-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one;1-(7-methoxy-2-methylquinolin-3-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide;3-(4-morpholin-4-ylsulfonylphenyl)-1-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)propan-1-one
• SMILES: CC(C)c1cc(C(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2cnn(C(C)C)c2n1.CC(C)n1ncc2cc(C(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)cnc21.COc1ccc2cc(C(=O)CCc3ccc(S(=O)(=O)N4CCOCC4)cc3)c(C)nc2c1.Cc1cc(C(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2c(C)nn(C)c2n1.O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1=CCc2ccccc21.O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cc(Cl)nc2ccccc12
• InChI: InChI=1S/C25H32N4O4S.C24H26N2O5S.C23H25NO3S.C22H26N4O4S.C21H20ClN3O4S.C21H25N5O4S/c1-17(2)23-15-21(22-16-26-29(18(3)4)25(22)27-23)24(30)10-7-19-5-8-20(9-6-19)34(31,32)28-11-13-33-14-12-28;1-17-22(15-19-6-7-20(30-2)16-23(19)25-17)24(27)10-5-18-3-8-21(9-4-18)32(28,29)26-11-13-31-14-12-26;25-23(22-14-11-19-6-2-3-7-21(19)22)15-10-18-8-12-20(13-9-18)28(26,27)24-16-4-1-5-17-24;1-15-14-19(21-16(2)24-25(3)22(21)23-15)20(27)9-6-17-4-7-18(8-5-17)31(28,29)26-10-12-30-13-11-26;22-20-13-18(17-3-1-2-4-19(17)24-20)21(26)23-14-15-5-7-16(8-6-15)30(27,28)25-9-11-29-12-10-25;1-15(2)26-20-17(14-24-26)11-18(13-22-20)21(27)23-12-16-3-5-19(6-4-16)31(28,29)25-7-9-30-10-8-25/h5-6,8-9,15-18H,7,10-14H2,1-4H3;3-4,6-9,15-16H,5,10-14H2,1-2H3;2-3,6-9,12-14H,1,4-5,10-11,15-17H2;4-5,7-8,14H,6,9-13H2,1-3H3;1-8,13H,9-12,14H2,(H,23,26);3-6,11,13-15H,7-10,12H2,1-2H3,(H,23,27)
• InChIKey: ICASUOINVJEWJZ-UHFFFAOYSA-N
• XLogP: 18.59
• TPSA: 524.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 35
• Rotatable Bonds: 38
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2666.69
LogP ≤ 5	18.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]quinoline-4-carboxamide;1-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;1-(3H-inden-1-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one;1-(7-methoxy-2-methylquinolin-3-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide;3-(4-morpholin-4-ylsulfonylphenyl)-1-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)propan-1-one?

The IUPAC name of 2-chloro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]quinoline-4-carboxamide;1-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;1-(3H-inden-1-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one;1-(7-methoxy-2-methylquinolin-3-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide;3-(4-morpholin-4-ylsulfonylphenyl)-1-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)propan-1-one (CID 158655179) is 2-chloro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]quinoline-4-carboxamide;1-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;1-(3H-inden-1-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one;1-(7-methoxy-2-methylquinolin-3-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide;3-(4-morpholin-4-ylsulfonylphenyl)-1-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)propan-1-one.

What is the SMILES notation for 2-chloro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]quinoline-4-carboxamide;1-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;1-(3H-inden-1-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one;1-(7-methoxy-2-methylquinolin-3-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide;3-(4-morpholin-4-ylsulfonylphenyl)-1-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)propan-1-one?

The canonical SMILES for 2-chloro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]quinoline-4-carboxamide;1-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;1-(3H-inden-1-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one;1-(7-methoxy-2-methylquinolin-3-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide;3-(4-morpholin-4-ylsulfonylphenyl)-1-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)propan-1-one is CC(C)c1cc(C(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2cnn(C(C)C)c2n1.CC(C)n1ncc2cc(C(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)cnc21.COc1ccc2cc(C(=O)CCc3ccc(S(=O)(=O)N4CCOCC4)cc3)c(C)nc2c1.Cc1cc(C(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2c(C)nn(C)c2n1.O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1=CCc2ccccc21.O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cc(Cl)nc2ccccc12.

What is the InChIKey of 2-chloro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]quinoline-4-carboxamide;1-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;1-(3H-inden-1-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one;1-(7-methoxy-2-methylquinolin-3-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide;3-(4-morpholin-4-ylsulfonylphenyl)-1-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)propan-1-one?

The InChIKey is ICASUOINVJEWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O4S.C24H26N2O5S.C23H25NO3S.C22H26N4O4S.C21H20ClN3O4S.C21H25N5O4S/c1-17(2)23-15-21(22-16-26-29(18(3)4)25(22)27-23)24(30)10-7-19-5-8-20(9-6-19)34(31,32)28-11-13-33-14-12-28;1-17-22(15-19-6-7-20(30-2)16-23(19)25-17)24(27)10-5-18-3-8-21(9-4-18)32(28,29)26-11-13-31-14-12-26;25-23(22-14-11-19-6-2-3-7-21(19)22)15-10-18-8-12-20(13-9-18)28(26,27)24-16-4-1-5-17-24;1-15-14-19(21-16(2)24-25(3)22(21)23-15)20(27)9-6-17-4-7-18(8-5-17)31(28,29)26-10-12-30-13-11-26;22-20-13-18(17-3-1-2-4-19(17)24-20)21(26)23-14-15-5-7-16(8-6-15)30(27,28)25-9-11-29-12-10-25;1-15(2)26-20-17(14-24-26)11-18(13-22-20)21(27)23-12-16-3-5-19(6-4-16)31(28,29)25-7-9-30-10-8-25/h5-6,8-9,15-18H,7,10-14H2,1-4H3;3-4,6-9,15-16H,5,10-14H2,1-2H3;2-3,6-9,12-14H,1,4-5,10-11,15-17H2;4-5,7-8,14H,6,9-13H2,1-3H3;1-8,13H,9-12,14H2,(H,23,26);3-6,11,13-15H,7-10,12H2,1-2H3,(H,23,27).

What are the key properties of 2-chloro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]quinoline-4-carboxamide;1-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;1-(3H-inden-1-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one;1-(7-methoxy-2-methylquinolin-3-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide;3-(4-morpholin-4-ylsulfonylphenyl)-1-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)propan-1-one?

2-chloro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]quinoline-4-carboxamide;1-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;1-(3H-inden-1-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one;1-(7-methoxy-2-methylquinolin-3-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide;3-(4-morpholin-4-ylsulfonylphenyl)-1-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)propan-1-one has a molecular weight of 2666.69 g/mol, XLogP of 18.59, 38 rotatable bonds, 2 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]quinoline-4-carboxamide;1-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;1-(3H-inden-1-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one;1-(7-methoxy-2-methylquinolin-3-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide;3-(4-morpholin-4-ylsulfonylphenyl)-1-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)propan-1-one is sourced from PubChem (CID 158655179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).