5-[2-(azetidin-1-yl)ethoxy]-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[4-(dimethylamino)-3-hydroxy-4-oxobut-1-ynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-methoxypyrazolo[3,4-d]pyrimidine-3-carboxamide;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]-6-(trifluoromethyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide

C113H107F3N26O19 — CID 158090727

About 5-[2-(azetidin-1-yl)ethoxy]-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[4-(dimethylamino)-3-hydroxy-4-oxobut-1-ynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-methoxypyrazolo[3,4-d]pyrimidine-3-carboxamide;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]-6-(trifluoromethyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide

5-[2-(azetidin-1-yl)ethoxy]-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[4-(dimethylamino)-3-hydroxy-4-oxobut-1-ynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-methoxypyrazolo[3,4-d]pyrimidine-3-carboxamide;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]-6-(trifluoromethyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide (PubChem CID 158090727) has the molecular formula C113H107F3N26O19 and a molecular weight of 2190.26 g/mol. Its IUPAC name is 5-[2-(azetidin-1-yl)ethoxy]-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[4-(dimethylamino)-3-hydroxy-4-oxobut-1-ynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-methoxypyrazolo[3,4-d]pyrimidine-3-carboxamide;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]-6-(trifluoromethyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[2-(azetidin-1-yl)ethoxy]-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[4-(dimethylamino)-3-hydroxy-4-oxobut-1-ynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-methoxypyrazolo[3,4-d]pyrimidine-3-carboxamide;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]-6-(trifluoromethyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide
• PubChem CID: 158090727
• Molecular Formula: C113H107F3N26O19
• Molecular Weight: 2190.26 g/mol
• Exact Mass: 2188.82
• IUPAC Name: 5-[2-(azetidin-1-yl)ethoxy]-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[4-(dimethylamino)-3-hydroxy-4-oxobut-1-ynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-methoxypyrazolo[3,4-d]pyrimidine-3-carboxamide;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]-6-(trifluoromethyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide
• SMILES: CN(C)C(=O)C(O)C#Cc1cccc(-n2nc(C(N)=O)c3ccccc32)c1.CN1CC[C@@](O)(C#Cc2cccc(-n3nc(C(N)=O)c4cc(OCCN5CCC5)ccc43)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-n3nc(C(N)=O)c4cc(OCCN5CCOCC5)ccc43)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-n3nc(C(N)=O)c4cnc(C(F)(F)F)nc43)c2)C1=O.COc1ncc2c(C(N)=O)nn(-c3cccc(C#C[C@]4(O)CCN(C)C4=O)c3)c2n1
• InChI: InChI=1S/C27H29N5O5.C26H27N5O4.C20H15F3N6O3.C20H18N6O4.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;1-29-13-10-26(34,25(29)33)9-8-18-4-2-5-19(16-18)31-22-7-6-20(35-15-14-30-11-3-12-30)17-21(22)23(28-31)24(27)32;1-28-8-7-19(32,18(28)31)6-5-11-3-2-4-12(9-11)29-16-13(14(27-29)15(24)30)10-25-17(26-16)20(21,22)23;1-25-9-8-20(29,18(25)28)7-6-12-4-3-5-13(10-12)26-17-14(15(24-26)16(21)27)11-22-19(23-17)30-2;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);2,4-7,16-17,34H,3,10-15H2,1H3,(H2,27,32);2-4,9-10,32H,7-8H2,1H3,(H2,24,30);3-5,10-11,29H,8-9H2,1-2H3,(H2,21,27);3-9,12,17,25H,1-2H3,(H2,21,26)/t27-;26-;19-;20-;/m0000./s1
• InChIKey: FOBKCVCGGRLGSV-IUJTYZFOSA-N
• XLogP: 3.60
• TPSA: 602.21 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 35
• Rotatable Bonds: 20
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2190.26
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[2-(azetidin-1-yl)ethoxy]-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[4-(dimethylamino)-3-hydroxy-4-oxobut-1-ynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-methoxypyrazolo[3,4-d]pyrimidine-3-carboxamide;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]-6-(trifluoromethyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide?

The IUPAC name of 5-[2-(azetidin-1-yl)ethoxy]-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[4-(dimethylamino)-3-hydroxy-4-oxobut-1-ynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-methoxypyrazolo[3,4-d]pyrimidine-3-carboxamide;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]-6-(trifluoromethyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide (CID 158090727) is 5-[2-(azetidin-1-yl)ethoxy]-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[4-(dimethylamino)-3-hydroxy-4-oxobut-1-ynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-methoxypyrazolo[3,4-d]pyrimidine-3-carboxamide;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]-6-(trifluoromethyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide.

What is the SMILES notation for 5-[2-(azetidin-1-yl)ethoxy]-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[4-(dimethylamino)-3-hydroxy-4-oxobut-1-ynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-methoxypyrazolo[3,4-d]pyrimidine-3-carboxamide;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]-6-(trifluoromethyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide?

The canonical SMILES for 5-[2-(azetidin-1-yl)ethoxy]-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[4-(dimethylamino)-3-hydroxy-4-oxobut-1-ynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-methoxypyrazolo[3,4-d]pyrimidine-3-carboxamide;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]-6-(trifluoromethyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide is CN(C)C(=O)C(O)C#Cc1cccc(-n2nc(C(N)=O)c3ccccc32)c1.CN1CC[C@@](O)(C#Cc2cccc(-n3nc(C(N)=O)c4cc(OCCN5CCC5)ccc43)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-n3nc(C(N)=O)c4cc(OCCN5CCOCC5)ccc43)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-n3nc(C(N)=O)c4cnc(C(F)(F)F)nc43)c2)C1=O.COc1ncc2c(C(N)=O)nn(-c3cccc(C#C[C@]4(O)CCN(C)C4=O)c3)c2n1.

What is the InChIKey of 5-[2-(azetidin-1-yl)ethoxy]-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[4-(dimethylamino)-3-hydroxy-4-oxobut-1-ynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-methoxypyrazolo[3,4-d]pyrimidine-3-carboxamide;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]-6-(trifluoromethyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide?

The InChIKey is FOBKCVCGGRLGSV-IUJTYZFOSA-N. The full InChI is InChI=1S/C27H29N5O5.C26H27N5O4.C20H15F3N6O3.C20H18N6O4.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;1-29-13-10-26(34,25(29)33)9-8-18-4-2-5-19(16-18)31-22-7-6-20(35-15-14-30-11-3-12-30)17-21(22)23(28-31)24(27)32;1-28-8-7-19(32,18(28)31)6-5-11-3-2-4-12(9-11)29-16-13(14(27-29)15(24)30)10-25-17(26-16)20(21,22)23;1-25-9-8-20(29,18(25)28)7-6-12-4-3-5-13(10-12)26-17-14(15(24-26)16(21)27)11-22-19(23-17)30-2;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);2,4-7,16-17,34H,3,10-15H2,1H3,(H2,27,32);2-4,9-10,32H,7-8H2,1H3,(H2,24,30);3-5,10-11,29H,8-9H2,1-2H3,(H2,21,27);3-9,12,17,25H,1-2H3,(H2,21,26)/t27-;26-;19-;20-;/m0000./s1.

What are the key properties of 5-[2-(azetidin-1-yl)ethoxy]-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[4-(dimethylamino)-3-hydroxy-4-oxobut-1-ynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-methoxypyrazolo[3,4-d]pyrimidine-3-carboxamide;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]-6-(trifluoromethyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide?

5-[2-(azetidin-1-yl)ethoxy]-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[4-(dimethylamino)-3-hydroxy-4-oxobut-1-ynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-methoxypyrazolo[3,4-d]pyrimidine-3-carboxamide;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]-6-(trifluoromethyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide has a molecular weight of 2190.26 g/mol, XLogP of 3.60, 20 rotatable bonds, 10 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(azetidin-1-yl)ethoxy]-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[4-(dimethylamino)-3-hydroxy-4-oxobut-1-ynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-methoxypyrazolo[3,4-d]pyrimidine-3-carboxamide;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]-6-(trifluoromethyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide is sourced from PubChem (CID 158090727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).