3-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-1,6-dicarboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(1H-imidazol-2-yl)indazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(3-methoxyazetidin-1-yl)pyrazolo[5,4-b]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-oxo-6,7-dihydro-4H-pyrazolo[4,3-b]pyridine-3-carboxamide;7-methoxy-1-[3-[3-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)but-1-ynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide

C113H103N27O18 — CID 162115258

About 3-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-1,6-dicarboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(1H-imidazol-2-yl)indazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(3-methoxyazetidin-1-yl)pyrazolo[5,4-b]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-oxo-6,7-dihydro-4H-pyrazolo[4,3-b]pyridine-3-carboxamide;7-methoxy-1-[3-[3-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)but-1-ynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide

3-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-1,6-dicarboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(1H-imidazol-2-yl)indazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(3-methoxyazetidin-1-yl)pyrazolo[5,4-b]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-oxo-6,7-dihydro-4H-pyrazolo[4,3-b]pyridine-3-carboxamide;7-methoxy-1-[3-[3-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)but-1-ynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide (PubChem CID 162115258) has the molecular formula C113H103N27O18 and a molecular weight of 2127.24 g/mol. Its IUPAC name is 3-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-1,6-dicarboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(1H-imidazol-2-yl)indazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(3-methoxyazetidin-1-yl)pyrazolo[5,4-b]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-oxo-6,7-dihydro-4H-pyrazolo[4,3-b]pyridine-3-carboxamide;7-methoxy-1-[3-[3-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)but-1-ynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 3-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-1,6-dicarboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(1H-imidazol-2-yl)indazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(3-methoxyazetidin-1-yl)pyrazolo[5,4-b]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-oxo-6,7-dihydro-4H-pyrazolo[4,3-b]pyridine-3-carboxamide;7-methoxy-1-[3-[3-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)but-1-ynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide
• PubChem CID: 162115258
• Molecular Formula: C113H103N27O18
• Molecular Weight: 2127.24 g/mol
• Exact Mass: 2125.80
• IUPAC Name: 3-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-1,6-dicarboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(1H-imidazol-2-yl)indazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(3-methoxyazetidin-1-yl)pyrazolo[5,4-b]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-oxo-6,7-dihydro-4H-pyrazolo[4,3-b]pyridine-3-carboxamide;7-methoxy-1-[3-[3-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)but-1-ynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide
• SMILES: CN1CC[C@@](O)(C#Cc2cccc(-c3nc(C(N)=O)c4ccc(C(N)=O)cn34)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-n3nc(C(N)=O)c4c3CCC(=O)N4)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-n3nc(C(N)=O)c4cc(-c5ncc[nH]5)ccc43)c2)C1=O.COC1CN(c2cnc3c(c2)c(C(N)=O)nn3-c2cccc(C#C[C@]3(O)CCN(C)C3=O)c2)C1.COc1ccn2c(C(N)=O)nc(-c3cccc(C#CC(C)(C)c4nnc(C)o4)c3)c2c1
• InChI: InChI=1S/C24H24N6O4.C24H20N6O3.C23H21N5O3.C22H19N5O4.C20H19N5O4/c1-28-9-8-24(33,23(28)32)7-6-15-4-3-5-16(10-15)30-22-19(20(27-30)21(25)31)11-17(12-26-22)29-13-18(14-29)34-2;1-29-12-9-24(33,23(29)32)8-7-15-3-2-4-17(13-15)30-19-6-5-16(22-26-10-11-27-22)14-18(19)20(28-30)21(25)31;1-14-26-27-22(31-14)23(2,3)10-8-15-6-5-7-16(12-15)19-18-13-17(30-4)9-11-28(18)21(25-19)20(24)29;1-26-10-9-22(31,21(26)30)8-7-13-3-2-4-14(11-13)20-25-17(19(24)29)16-6-5-15(18(23)28)12-27(16)20;1-24-10-9-20(29,19(24)28)8-7-12-3-2-4-13(11-12)25-14-5-6-15(26)22-16(14)17(23-25)18(21)27/h3-5,10-12,18,33H,8-9,13-14H2,1-2H3,(H2,25,31);2-6,10-11,13-14,33H,9,12H2,1H3,(H2,25,31)(H,26,27);5-7,9,11-13H,1-4H3,(H2,24,29);2-6,11-12,31H,9-10H2,1H3,(H2,23,28)(H2,24,29);2-4,11,29H,5-6,9-10H2,1H3,(H2,21,27)(H,22,26)/t2*24-;;22-;20-/m00.00/s1
• InChIKey: ZGRJTTSCTRGCPQ-HOXOTNRCSA-N
• XLogP: 4.83
• TPSA: 640.05 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 33
• Rotatable Bonds: 16
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2127.24
LogP ≤ 5	4.83
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-1,6-dicarboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(1H-imidazol-2-yl)indazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(3-methoxyazetidin-1-yl)pyrazolo[5,4-b]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-oxo-6,7-dihydro-4H-pyrazolo[4,3-b]pyridine-3-carboxamide;7-methoxy-1-[3-[3-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)but-1-ynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide?

The IUPAC name of 3-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-1,6-dicarboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(1H-imidazol-2-yl)indazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(3-methoxyazetidin-1-yl)pyrazolo[5,4-b]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-oxo-6,7-dihydro-4H-pyrazolo[4,3-b]pyridine-3-carboxamide;7-methoxy-1-[3-[3-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)but-1-ynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide (CID 162115258) is 3-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-1,6-dicarboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(1H-imidazol-2-yl)indazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(3-methoxyazetidin-1-yl)pyrazolo[5,4-b]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-oxo-6,7-dihydro-4H-pyrazolo[4,3-b]pyridine-3-carboxamide;7-methoxy-1-[3-[3-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)but-1-ynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide.

What is the SMILES notation for 3-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-1,6-dicarboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(1H-imidazol-2-yl)indazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(3-methoxyazetidin-1-yl)pyrazolo[5,4-b]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-oxo-6,7-dihydro-4H-pyrazolo[4,3-b]pyridine-3-carboxamide;7-methoxy-1-[3-[3-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)but-1-ynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide?

The canonical SMILES for 3-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-1,6-dicarboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(1H-imidazol-2-yl)indazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(3-methoxyazetidin-1-yl)pyrazolo[5,4-b]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-oxo-6,7-dihydro-4H-pyrazolo[4,3-b]pyridine-3-carboxamide;7-methoxy-1-[3-[3-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)but-1-ynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide is CN1CC[C@@](O)(C#Cc2cccc(-c3nc(C(N)=O)c4ccc(C(N)=O)cn34)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-n3nc(C(N)=O)c4c3CCC(=O)N4)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-n3nc(C(N)=O)c4cc(-c5ncc[nH]5)ccc43)c2)C1=O.COC1CN(c2cnc3c(c2)c(C(N)=O)nn3-c2cccc(C#C[C@]3(O)CCN(C)C3=O)c2)C1.COc1ccn2c(C(N)=O)nc(-c3cccc(C#CC(C)(C)c4nnc(C)o4)c3)c2c1.

What is the InChIKey of 3-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-1,6-dicarboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(1H-imidazol-2-yl)indazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(3-methoxyazetidin-1-yl)pyrazolo[5,4-b]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-oxo-6,7-dihydro-4H-pyrazolo[4,3-b]pyridine-3-carboxamide;7-methoxy-1-[3-[3-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)but-1-ynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide?

The InChIKey is ZGRJTTSCTRGCPQ-HOXOTNRCSA-N. The full InChI is InChI=1S/C24H24N6O4.C24H20N6O3.C23H21N5O3.C22H19N5O4.C20H19N5O4/c1-28-9-8-24(33,23(28)32)7-6-15-4-3-5-16(10-15)30-22-19(20(27-30)21(25)31)11-17(12-26-22)29-13-18(14-29)34-2;1-29-12-9-24(33,23(29)32)8-7-15-3-2-4-17(13-15)30-19-6-5-16(22-26-10-11-27-22)14-18(19)20(28-30)21(25)31;1-14-26-27-22(31-14)23(2,3)10-8-15-6-5-7-16(12-15)19-18-13-17(30-4)9-11-28(18)21(25-19)20(24)29;1-26-10-9-22(31,21(26)30)8-7-13-3-2-4-14(11-13)20-25-17(19(24)29)16-6-5-15(18(23)28)12-27(16)20;1-24-10-9-20(29,19(24)28)8-7-12-3-2-4-13(11-12)25-14-5-6-15(26)22-16(14)17(23-25)18(21)27/h3-5,10-12,18,33H,8-9,13-14H2,1-2H3,(H2,25,31);2-6,10-11,13-14,33H,9,12H2,1H3,(H2,25,31)(H,26,27);5-7,9,11-13H,1-4H3,(H2,24,29);2-6,11-12,31H,9-10H2,1H3,(H2,23,28)(H2,24,29);2-4,11,29H,5-6,9-10H2,1H3,(H2,21,27)(H,22,26)/t2*24-;;22-;20-/m00.00/s1.

What are the key properties of 3-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-1,6-dicarboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(1H-imidazol-2-yl)indazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(3-methoxyazetidin-1-yl)pyrazolo[5,4-b]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-oxo-6,7-dihydro-4H-pyrazolo[4,3-b]pyridine-3-carboxamide;7-methoxy-1-[3-[3-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)but-1-ynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide?

3-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-1,6-dicarboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(1H-imidazol-2-yl)indazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(3-methoxyazetidin-1-yl)pyrazolo[5,4-b]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-oxo-6,7-dihydro-4H-pyrazolo[4,3-b]pyridine-3-carboxamide;7-methoxy-1-[3-[3-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)but-1-ynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide has a molecular weight of 2127.24 g/mol, XLogP of 4.83, 16 rotatable bonds, 12 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-1,6-dicarboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(1H-imidazol-2-yl)indazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(3-methoxyazetidin-1-yl)pyrazolo[5,4-b]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-oxo-6,7-dihydro-4H-pyrazolo[4,3-b]pyridine-3-carboxamide;7-methoxy-1-[3-[3-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)but-1-ynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 162115258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).