5-bromo-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]indazole-3-carboxamide;1-[3-[(3R)-3-hydroxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)but-1-ynyl]phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6,6-dioxo-5,7-dihydro-4H-thiopyrano[4,3-d]pyrazole-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-5,5-dimethyl-6,7-dihydro-4H-indazole-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-5-methoxyindazole-3-carboxamide

C103H96BrN25O18S — CID 159211644

About 5-bromo-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]indazole-3-carboxamide;1-[3-[(3R)-3-hydroxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)but-1-ynyl]phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6,6-dioxo-5,7-dihydro-4H-thiopyrano[4,3-d]pyrazole-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-5,5-dimethyl-6,7-dihydro-4H-indazole-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-5-methoxyindazole-3-carboxamide

5-bromo-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]indazole-3-carboxamide;1-[3-[(3R)-3-hydroxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)but-1-ynyl]phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6,6-dioxo-5,7-dihydro-4H-thiopyrano[4,3-d]pyrazole-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-5,5-dimethyl-6,7-dihydro-4H-indazole-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-5-methoxyindazole-3-carboxamide (PubChem CID 159211644) has the molecular formula C103H96BrN25O18S and a molecular weight of 2084.03 g/mol. Its IUPAC name is 5-bromo-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]indazole-3-carboxamide;1-[3-[(3R)-3-hydroxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)but-1-ynyl]phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6,6-dioxo-5,7-dihydro-4H-thiopyrano[4,3-d]pyrazole-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-5,5-dimethyl-6,7-dihydro-4H-indazole-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-5-methoxyindazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-bromo-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]indazole-3-carboxamide;1-[3-[(3R)-3-hydroxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)but-1-ynyl]phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6,6-dioxo-5,7-dihydro-4H-thiopyrano[4,3-d]pyrazole-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-5,5-dimethyl-6,7-dihydro-4H-indazole-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-5-methoxyindazole-3-carboxamide
• PubChem CID: 159211644
• Molecular Formula: C103H96BrN25O18S
• Molecular Weight: 2084.03 g/mol
• Exact Mass: 2081.63
• IUPAC Name: 5-bromo-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]indazole-3-carboxamide;1-[3-[(3R)-3-hydroxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)but-1-ynyl]phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6,6-dioxo-5,7-dihydro-4H-thiopyrano[4,3-d]pyrazole-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-5,5-dimethyl-6,7-dihydro-4H-indazole-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-5-methoxyindazole-3-carboxamide
• SMILES: CN1CC[C@@](O)(C#Cc2cccc(-n3nc(C(N)=O)c4c3CS(=O)(=O)CC4)c2)C1=O.CN1CC[C@@](O)(C#Cc2ccnc(-n3nc(C(N)=O)c4c3CCC(C)(C)C4)c2)C1=O.CN1CC[C@@](O)(C#Cc2ccnc(-n3nc(C(N)=O)c4cc(Br)ccc43)c2)C1=O.COc1ccc2c(c1)c(C(N)=O)nn2-c1cc(C#C[C@]2(O)CCN(C)C2=O)ccn1.Cc1nnc([C@](C)(O)C#Cc2cccc(-n3nc(C(N)=O)c4cccnc43)c2)o1
• InChI: InChI=1S/C22H25N5O3.C21H19N5O4.C20H16BrN5O3.C20H16N6O3.C20H20N4O5S/c1-21(2)7-5-16-15(13-21)18(19(23)28)25-27(16)17-12-14(6-10-24-17)4-8-22(30)9-11-26(3)20(22)29;1-25-10-8-21(29,20(25)28)7-5-13-6-9-23-17(11-13)26-16-4-3-14(30-2)12-15(16)18(24-26)19(22)27;1-25-9-7-20(29,19(25)28)6-4-12-5-8-23-16(10-12)26-15-3-2-13(21)11-14(15)17(24-26)18(22)27;1-12-23-24-19(29-12)20(2,28)9-8-13-5-3-6-14(11-13)26-18-15(7-4-10-22-18)16(25-26)17(21)27;1-23-9-8-20(27,19(23)26)7-5-13-3-2-4-14(11-13)24-16-12-30(28,29)10-6-15(16)17(22-24)18(21)25/h6,10,12,30H,5,7,9,11,13H2,1-3H3,(H2,23,28);3-4,6,9,11-12,29H,8,10H2,1-2H3,(H2,22,27);2-3,5,8,10-11,29H,7,9H2,1H3,(H2,22,27);3-7,10-11,28H,1-2H3,(H2,21,27);2-4,11,27H,6,8-10,12H2,1H3,(H2,21,25)/t22-;21-;3*20-/m00010/s1
• InChIKey: KQOHLTDDNNTXCB-NFYRIKOHSA-N
• XLogP: 3.38
• TPSA: 620.79 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 34
• Rotatable Bonds: 12
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2084.03
LogP ≤ 5	3.38
H-Bond Donors ≤ 5	10
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 5-bromo-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]indazole-3-carboxamide;1-[3-[(3R)-3-hydroxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)but-1-ynyl]phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6,6-dioxo-5,7-dihydro-4H-thiopyrano[4,3-d]pyrazole-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-5,5-dimethyl-6,7-dihydro-4H-indazole-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-5-methoxyindazole-3-carboxamide?

The IUPAC name of 5-bromo-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]indazole-3-carboxamide;1-[3-[(3R)-3-hydroxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)but-1-ynyl]phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6,6-dioxo-5,7-dihydro-4H-thiopyrano[4,3-d]pyrazole-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-5,5-dimethyl-6,7-dihydro-4H-indazole-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-5-methoxyindazole-3-carboxamide (CID 159211644) is 5-bromo-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]indazole-3-carboxamide;1-[3-[(3R)-3-hydroxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)but-1-ynyl]phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6,6-dioxo-5,7-dihydro-4H-thiopyrano[4,3-d]pyrazole-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-5,5-dimethyl-6,7-dihydro-4H-indazole-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-5-methoxyindazole-3-carboxamide.

What is the SMILES notation for 5-bromo-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]indazole-3-carboxamide;1-[3-[(3R)-3-hydroxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)but-1-ynyl]phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6,6-dioxo-5,7-dihydro-4H-thiopyrano[4,3-d]pyrazole-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-5,5-dimethyl-6,7-dihydro-4H-indazole-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-5-methoxyindazole-3-carboxamide?

The canonical SMILES for 5-bromo-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]indazole-3-carboxamide;1-[3-[(3R)-3-hydroxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)but-1-ynyl]phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6,6-dioxo-5,7-dihydro-4H-thiopyrano[4,3-d]pyrazole-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-5,5-dimethyl-6,7-dihydro-4H-indazole-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-5-methoxyindazole-3-carboxamide is CN1CC[C@@](O)(C#Cc2cccc(-n3nc(C(N)=O)c4c3CS(=O)(=O)CC4)c2)C1=O.CN1CC[C@@](O)(C#Cc2ccnc(-n3nc(C(N)=O)c4c3CCC(C)(C)C4)c2)C1=O.CN1CC[C@@](O)(C#Cc2ccnc(-n3nc(C(N)=O)c4cc(Br)ccc43)c2)C1=O.COc1ccc2c(c1)c(C(N)=O)nn2-c1cc(C#C[C@]2(O)CCN(C)C2=O)ccn1.Cc1nnc([C@](C)(O)C#Cc2cccc(-n3nc(C(N)=O)c4cccnc43)c2)o1.

What is the InChIKey of 5-bromo-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]indazole-3-carboxamide;1-[3-[(3R)-3-hydroxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)but-1-ynyl]phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6,6-dioxo-5,7-dihydro-4H-thiopyrano[4,3-d]pyrazole-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-5,5-dimethyl-6,7-dihydro-4H-indazole-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-5-methoxyindazole-3-carboxamide?

The InChIKey is KQOHLTDDNNTXCB-NFYRIKOHSA-N. The full InChI is InChI=1S/C22H25N5O3.C21H19N5O4.C20H16BrN5O3.C20H16N6O3.C20H20N4O5S/c1-21(2)7-5-16-15(13-21)18(19(23)28)25-27(16)17-12-14(6-10-24-17)4-8-22(30)9-11-26(3)20(22)29;1-25-10-8-21(29,20(25)28)7-5-13-6-9-23-17(11-13)26-16-4-3-14(30-2)12-15(16)18(24-26)19(22)27;1-25-9-7-20(29,19(25)28)6-4-12-5-8-23-16(10-12)26-15-3-2-13(21)11-14(15)17(24-26)18(22)27;1-12-23-24-19(29-12)20(2,28)9-8-13-5-3-6-14(11-13)26-18-15(7-4-10-22-18)16(25-26)17(21)27;1-23-9-8-20(27,19(23)26)7-5-13-3-2-4-14(11-13)24-16-12-30(28,29)10-6-15(16)17(22-24)18(21)25/h6,10,12,30H,5,7,9,11,13H2,1-3H3,(H2,23,28);3-4,6,9,11-12,29H,8,10H2,1-2H3,(H2,22,27);2-3,5,8,10-11,29H,7,9H2,1H3,(H2,22,27);3-7,10-11,28H,1-2H3,(H2,21,27);2-4,11,27H,6,8-10,12H2,1H3,(H2,21,25)/t22-;21-;3*20-/m00010/s1.

What are the key properties of 5-bromo-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]indazole-3-carboxamide;1-[3-[(3R)-3-hydroxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)but-1-ynyl]phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6,6-dioxo-5,7-dihydro-4H-thiopyrano[4,3-d]pyrazole-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-5,5-dimethyl-6,7-dihydro-4H-indazole-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-5-methoxyindazole-3-carboxamide?

5-bromo-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]indazole-3-carboxamide;1-[3-[(3R)-3-hydroxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)but-1-ynyl]phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6,6-dioxo-5,7-dihydro-4H-thiopyrano[4,3-d]pyrazole-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-5,5-dimethyl-6,7-dihydro-4H-indazole-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-5-methoxyindazole-3-carboxamide has a molecular weight of 2084.03 g/mol, XLogP of 3.38, 12 rotatable bonds, 10 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]indazole-3-carboxamide;1-[3-[(3R)-3-hydroxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)but-1-ynyl]phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6,6-dioxo-5,7-dihydro-4H-thiopyrano[4,3-d]pyrazole-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-5,5-dimethyl-6,7-dihydro-4H-indazole-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-5-methoxyindazole-3-carboxamide is sourced from PubChem (CID 159211644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).