1-[3-[4-(dimethylamino)-3-hydroxy-4-oxobut-1-ynyl]phenyl]indazole-3-carboxamide;ethyl 3-carbamoyl-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(2-morpholin-4-ylethoxy)indazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-b]pyridine-3-carboxamide

C89H88N20O16 — CID 159055034

About 1-[3-[4-(dimethylamino)-3-hydroxy-4-oxobut-1-ynyl]phenyl]indazole-3-carboxamide;ethyl 3-carbamoyl-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(2-morpholin-4-ylethoxy)indazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-b]pyridine-3-carboxamide

1-[3-[4-(dimethylamino)-3-hydroxy-4-oxobut-1-ynyl]phenyl]indazole-3-carboxamide;ethyl 3-carbamoyl-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(2-morpholin-4-ylethoxy)indazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-b]pyridine-3-carboxamide (PubChem CID 159055034) has the molecular formula C89H88N20O16 and a molecular weight of 1693.81 g/mol. Its IUPAC name is 1-[3-[4-(dimethylamino)-3-hydroxy-4-oxobut-1-ynyl]phenyl]indazole-3-carboxamide;ethyl 3-carbamoyl-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(2-morpholin-4-ylethoxy)indazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-b]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[3-[4-(dimethylamino)-3-hydroxy-4-oxobut-1-ynyl]phenyl]indazole-3-carboxamide;ethyl 3-carbamoyl-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(2-morpholin-4-ylethoxy)indazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-b]pyridine-3-carboxamide
• PubChem CID: 159055034
• Molecular Formula: C89H88N20O16
• Molecular Weight: 1693.81 g/mol
• Exact Mass: 1692.67
• IUPAC Name: 1-[3-[4-(dimethylamino)-3-hydroxy-4-oxobut-1-ynyl]phenyl]indazole-3-carboxamide;ethyl 3-carbamoyl-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(2-morpholin-4-ylethoxy)indazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-b]pyridine-3-carboxamide
• SMILES: CCOC(=O)N1CCc2c(c(C(N)=O)nn2-c2cc(C#C[C@]3(O)CCN(C)C3=O)ccn2)C1.CN(C)C(=O)C(O)C#Cc1cccc(-n2nc(C(N)=O)c3ccccc32)c1.CN1CC[C@@](O)(C#Cc2cccc(-n3nc(C(N)=O)c4cc(OCCN5CCOCC5)ccc43)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-n3nc(C(N)=O)c4ncccc43)c2)C1=O
• InChI: InChI=1S/C27H29N5O5.C22H24N6O5.C20H17N5O3.C20H18N4O3/c1-30-10-9-27(35,26(30)34)8-7-19-3-2-4-20(17-19)32-23-6-5-21(18-22(23)24(29-32)25(28)33)37-16-13-31-11-14-36-15-12-31;1-3-33-21(31)27-10-6-16-15(13-27)18(19(23)29)25-28(16)17-12-14(5-9-24-17)4-7-22(32)8-11-26(2)20(22)30;1-24-11-9-20(28,19(24)27)8-7-13-4-2-5-14(12-13)25-15-6-3-10-22-16(15)17(23-25)18(21)26;1-23(2)20(27)17(25)11-10-13-6-5-7-14(12-13)24-16-9-4-3-8-15(16)18(22-24)19(21)26/h2-6,17-18,35H,9-16H2,1H3,(H2,28,33);5,9,12,32H,3,6,8,10-11,13H2,1-2H3,(H2,23,29);2-6,10,12,28H,9,11H2,1H3,(H2,21,26);3-9,12,17,25H,1-2H3,(H2,21,26)/t27-;22-;20-;/m000./s1
• InChIKey: JXTCSUUSFSHXQP-SGWYJNQFSA-N
• XLogP: 1.99
• TPSA: 482.82 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 27
• Rotatable Bonds: 14
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1693.81
LogP ≤ 5	1.99
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(dimethylamino)-3-hydroxy-4-oxobut-1-ynyl]phenyl]indazole-3-carboxamide;ethyl 3-carbamoyl-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(2-morpholin-4-ylethoxy)indazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-b]pyridine-3-carboxamide?

The IUPAC name of 1-[3-[4-(dimethylamino)-3-hydroxy-4-oxobut-1-ynyl]phenyl]indazole-3-carboxamide;ethyl 3-carbamoyl-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(2-morpholin-4-ylethoxy)indazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-b]pyridine-3-carboxamide (CID 159055034) is 1-[3-[4-(dimethylamino)-3-hydroxy-4-oxobut-1-ynyl]phenyl]indazole-3-carboxamide;ethyl 3-carbamoyl-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(2-morpholin-4-ylethoxy)indazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-b]pyridine-3-carboxamide.

What is the SMILES notation for 1-[3-[4-(dimethylamino)-3-hydroxy-4-oxobut-1-ynyl]phenyl]indazole-3-carboxamide;ethyl 3-carbamoyl-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(2-morpholin-4-ylethoxy)indazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-b]pyridine-3-carboxamide?

The canonical SMILES for 1-[3-[4-(dimethylamino)-3-hydroxy-4-oxobut-1-ynyl]phenyl]indazole-3-carboxamide;ethyl 3-carbamoyl-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(2-morpholin-4-ylethoxy)indazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-b]pyridine-3-carboxamide is CCOC(=O)N1CCc2c(c(C(N)=O)nn2-c2cc(C#C[C@]3(O)CCN(C)C3=O)ccn2)C1.CN(C)C(=O)C(O)C#Cc1cccc(-n2nc(C(N)=O)c3ccccc32)c1.CN1CC[C@@](O)(C#Cc2cccc(-n3nc(C(N)=O)c4cc(OCCN5CCOCC5)ccc43)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-n3nc(C(N)=O)c4ncccc43)c2)C1=O.

What is the InChIKey of 1-[3-[4-(dimethylamino)-3-hydroxy-4-oxobut-1-ynyl]phenyl]indazole-3-carboxamide;ethyl 3-carbamoyl-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(2-morpholin-4-ylethoxy)indazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-b]pyridine-3-carboxamide?

The InChIKey is JXTCSUUSFSHXQP-SGWYJNQFSA-N. The full InChI is InChI=1S/C27H29N5O5.C22H24N6O5.C20H17N5O3.C20H18N4O3/c1-30-10-9-27(35,26(30)34)8-7-19-3-2-4-20(17-19)32-23-6-5-21(18-22(23)24(29-32)25(28)33)37-16-13-31-11-14-36-15-12-31;1-3-33-21(31)27-10-6-16-15(13-27)18(19(23)29)25-28(16)17-12-14(5-9-24-17)4-7-22(32)8-11-26(2)20(22)30;1-24-11-9-20(28,19(24)27)8-7-13-4-2-5-14(12-13)25-15-6-3-10-22-16(15)17(23-25)18(21)26;1-23(2)20(27)17(25)11-10-13-6-5-7-14(12-13)24-16-9-4-3-8-15(16)18(22-24)19(21)26/h2-6,17-18,35H,9-16H2,1H3,(H2,28,33);5,9,12,32H,3,6,8,10-11,13H2,1-2H3,(H2,23,29);2-6,10,12,28H,9,11H2,1H3,(H2,21,26);3-9,12,17,25H,1-2H3,(H2,21,26)/t27-;22-;20-;/m000./s1.

What are the key properties of 1-[3-[4-(dimethylamino)-3-hydroxy-4-oxobut-1-ynyl]phenyl]indazole-3-carboxamide;ethyl 3-carbamoyl-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(2-morpholin-4-ylethoxy)indazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-b]pyridine-3-carboxamide?

1-[3-[4-(dimethylamino)-3-hydroxy-4-oxobut-1-ynyl]phenyl]indazole-3-carboxamide;ethyl 3-carbamoyl-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(2-morpholin-4-ylethoxy)indazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-b]pyridine-3-carboxamide has a molecular weight of 1693.81 g/mol, XLogP of 1.99, 14 rotatable bonds, 8 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[4-(dimethylamino)-3-hydroxy-4-oxobut-1-ynyl]phenyl]indazole-3-carboxamide;ethyl 3-carbamoyl-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(2-morpholin-4-ylethoxy)indazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 159055034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).