1-[3-chloro-5-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide;6-cyano-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;5-cyano-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;5-(cyanomethyl)-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;5-[(1S)-1-hydroxyethyl]-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;5-[(1R)-1-hydroxyethyl]-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide

C135H117ClN28O18 — CID 162257096

About 1-[3-chloro-5-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide;6-cyano-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;5-cyano-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;5-(cyanomethyl)-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;5-[(1S)-1-hydroxyethyl]-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;5-[(1R)-1-hydroxyethyl]-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide

1-[3-chloro-5-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide;6-cyano-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;5-cyano-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;5-(cyanomethyl)-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;5-[(1S)-1-hydroxyethyl]-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;5-[(1R)-1-hydroxyethyl]-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide (PubChem CID 162257096) has the molecular formula C135H117ClN28O18 and a molecular weight of 2455.05 g/mol. Its IUPAC name is 1-[3-chloro-5-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide;6-cyano-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;5-cyano-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;5-(cyanomethyl)-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;5-[(1S)-1-hydroxyethyl]-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;5-[(1R)-1-hydroxyethyl]-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide.

Molecular Properties

• Compound Name: 1-[3-chloro-5-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide;6-cyano-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;5-cyano-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;5-(cyanomethyl)-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;5-[(1S)-1-hydroxyethyl]-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;5-[(1R)-1-hydroxyethyl]-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide
• PubChem CID: 162257096
• Molecular Formula: C135H117ClN28O18
• Molecular Weight: 2455.05 g/mol
• Exact Mass: 2452.88
• IUPAC Name: 1-[3-chloro-5-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide;6-cyano-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;5-cyano-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;5-(cyanomethyl)-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;5-[(1S)-1-hydroxyethyl]-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;5-[(1R)-1-hydroxyethyl]-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide
• SMILES: CN1CC[C@@](C)(C#Cc2cc(Cl)cc(-n3nc(C(N)=O)c4cccnc43)c2)C1=O.CN1CC[C@@](C)(C#Cc2cccc(-n3nc(C(N)=O)c4ccc(C#N)cc43)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-n3nc(C(N)=O)c4cc(C#N)ccc43)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-n3nc(C(N)=O)c4cc(CC#N)ccc43)c2)C1=O.C[C@@H](O)c1ccc2c(c1)c(C(N)=O)nn2-c1cccc(C#C[C@]2(O)CCN(C)C2=O)c1.C[C@H](O)c1ccc2c(c1)c(C(N)=O)nn2-c1cccc(C#C[C@]2(O)CCN(C)C2=O)c1
• InChI: InChI=1S/C23H19N5O3.C23H19N5O2.2C23H22N4O4.C22H17N5O3.C21H18ClN5O2/c1-27-12-10-23(31,22(27)30)9-7-15-3-2-4-17(13-15)28-19-6-5-16(8-11-24)14-18(19)20(26-28)21(25)29;1-23(10-11-27(2)22(23)30)9-8-15-4-3-5-17(12-15)28-19-13-16(14-24)6-7-18(19)20(26-28)21(25)29;2*1-14(28)16-6-7-19-18(13-16)20(21(24)29)25-27(19)17-5-3-4-15(12-17)8-9-23(31)10-11-26(2)22(23)30;1-26-10-9-22(30,21(26)29)8-7-14-3-2-4-16(11-14)27-18-6-5-15(13-23)12-17(18)19(25-27)20(24)28;1-21(7-9-26(2)20(21)29)6-5-13-10-14(22)12-15(11-13)27-19-16(4-3-8-24-19)17(25-27)18(23)28/h2-6,13-14,31H,8,10,12H2,1H3,(H2,25,29);3-7,12-13H,10-11H2,1-2H3,(H2,25,29);2*3-7,12-14,28,31H,10-11H2,1-2H3,(H2,24,29);2-6,11-12,30H,9-10H2,1H3,(H2,24,28);3-4,8,10-12H,7,9H2,1-2H3,(H2,23,28)/t2*23-;14-,23+;14-,23-;22-;21-/m011001/s1
• InChIKey: ZYSVRTPOANSCBF-UTCYMHIKSA-N
• XLogP: 8.93
• TPSA: 692.96 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 34
• Rotatable Bonds: 15
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2455.05
LogP ≤ 5	8.93
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide;6-cyano-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;5-cyano-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;5-(cyanomethyl)-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;5-[(1S)-1-hydroxyethyl]-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;5-[(1R)-1-hydroxyethyl]-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide?

The IUPAC name of 1-[3-chloro-5-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide;6-cyano-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;5-cyano-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;5-(cyanomethyl)-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;5-[(1S)-1-hydroxyethyl]-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;5-[(1R)-1-hydroxyethyl]-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide (CID 162257096) is 1-[3-chloro-5-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide;6-cyano-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;5-cyano-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;5-(cyanomethyl)-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;5-[(1S)-1-hydroxyethyl]-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;5-[(1R)-1-hydroxyethyl]-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide.

What is the SMILES notation for 1-[3-chloro-5-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide;6-cyano-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;5-cyano-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;5-(cyanomethyl)-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;5-[(1S)-1-hydroxyethyl]-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;5-[(1R)-1-hydroxyethyl]-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide?

The canonical SMILES for 1-[3-chloro-5-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide;6-cyano-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;5-cyano-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;5-(cyanomethyl)-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;5-[(1S)-1-hydroxyethyl]-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;5-[(1R)-1-hydroxyethyl]-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide is CN1CC[C@@](C)(C#Cc2cc(Cl)cc(-n3nc(C(N)=O)c4cccnc43)c2)C1=O.CN1CC[C@@](C)(C#Cc2cccc(-n3nc(C(N)=O)c4ccc(C#N)cc43)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-n3nc(C(N)=O)c4cc(C#N)ccc43)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-n3nc(C(N)=O)c4cc(CC#N)ccc43)c2)C1=O.C[C@@H](O)c1ccc2c(c1)c(C(N)=O)nn2-c1cccc(C#C[C@]2(O)CCN(C)C2=O)c1.C[C@H](O)c1ccc2c(c1)c(C(N)=O)nn2-c1cccc(C#C[C@]2(O)CCN(C)C2=O)c1.

What is the InChIKey of 1-[3-chloro-5-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide;6-cyano-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;5-cyano-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;5-(cyanomethyl)-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;5-[(1S)-1-hydroxyethyl]-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;5-[(1R)-1-hydroxyethyl]-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide?

The InChIKey is ZYSVRTPOANSCBF-UTCYMHIKSA-N. The full InChI is InChI=1S/C23H19N5O3.C23H19N5O2.2C23H22N4O4.C22H17N5O3.C21H18ClN5O2/c1-27-12-10-23(31,22(27)30)9-7-15-3-2-4-17(13-15)28-19-6-5-16(8-11-24)14-18(19)20(26-28)21(25)29;1-23(10-11-27(2)22(23)30)9-8-15-4-3-5-17(12-15)28-19-13-16(14-24)6-7-18(19)20(26-28)21(25)29;2*1-14(28)16-6-7-19-18(13-16)20(21(24)29)25-27(19)17-5-3-4-15(12-17)8-9-23(31)10-11-26(2)22(23)30;1-26-10-9-22(30,21(26)29)8-7-14-3-2-4-16(11-14)27-18-6-5-15(13-23)12-17(18)19(25-27)20(24)28;1-21(7-9-26(2)20(21)29)6-5-13-10-14(22)12-15(11-13)27-19-16(4-3-8-24-19)17(25-27)18(23)28/h2-6,13-14,31H,8,10,12H2,1H3,(H2,25,29);3-7,12-13H,10-11H2,1-2H3,(H2,25,29);2*3-7,12-14,28,31H,10-11H2,1-2H3,(H2,24,29);2-6,11-12,30H,9-10H2,1H3,(H2,24,28);3-4,8,10-12H,7,9H2,1-2H3,(H2,23,28)/t2*23-;14-,23+;14-,23-;22-;21-/m011001/s1.

What are the key properties of 1-[3-chloro-5-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide;6-cyano-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;5-cyano-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;5-(cyanomethyl)-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;5-[(1S)-1-hydroxyethyl]-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;5-[(1R)-1-hydroxyethyl]-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide?

1-[3-chloro-5-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide;6-cyano-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;5-cyano-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;5-(cyanomethyl)-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;5-[(1S)-1-hydroxyethyl]-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;5-[(1R)-1-hydroxyethyl]-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide has a molecular weight of 2455.05 g/mol, XLogP of 8.93, 15 rotatable bonds, 12 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-chloro-5-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide;6-cyano-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;5-cyano-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;5-(cyanomethyl)-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;5-[(1S)-1-hydroxyethyl]-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;5-[(1R)-1-hydroxyethyl]-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide is sourced from PubChem (CID 162257096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).