3-[[5-chloro-1-[4-(dimethylamino)but-2-ynyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-hydroxybutyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-methylpropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-pyrrolidin-1-ylethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-methyl-1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(1-methylpyrrolo[2,3-b]pyridin-3-yl)methyl]pyridine-4-carboxylic acid

C109H108ClF3N20O13 — CID 158370138

About 3-[[5-chloro-1-[4-(dimethylamino)but-2-ynyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-hydroxybutyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-methylpropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-pyrrolidin-1-ylethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-methyl-1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(1-methylpyrrolo[2,3-b]pyridin-3-yl)methyl]pyridine-4-carboxylic acid

3-[[5-chloro-1-[4-(dimethylamino)but-2-ynyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-hydroxybutyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-methylpropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-pyrrolidin-1-ylethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-methyl-1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(1-methylpyrrolo[2,3-b]pyridin-3-yl)methyl]pyridine-4-carboxylic acid (PubChem CID 158370138) has the molecular formula C109H108ClF3N20O13 and a molecular weight of 1998.64 g/mol. Its IUPAC name is 3-[[5-chloro-1-[4-(dimethylamino)but-2-ynyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-hydroxybutyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-methylpropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-pyrrolidin-1-ylethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-methyl-1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(1-methylpyrrolo[2,3-b]pyridin-3-yl)methyl]pyridine-4-carboxylic acid.

Molecular Properties

• Compound Name: 3-[[5-chloro-1-[4-(dimethylamino)but-2-ynyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-hydroxybutyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-methylpropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-pyrrolidin-1-ylethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-methyl-1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(1-methylpyrrolo[2,3-b]pyridin-3-yl)methyl]pyridine-4-carboxylic acid
• PubChem CID: 158370138
• Molecular Formula: C109H108ClF3N20O13
• Molecular Weight: 1998.64 g/mol
• Exact Mass: 1996.80
• IUPAC Name: 3-[[5-chloro-1-[4-(dimethylamino)but-2-ynyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-hydroxybutyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-methylpropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-pyrrolidin-1-ylethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-methyl-1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(1-methylpyrrolo[2,3-b]pyridin-3-yl)methyl]pyridine-4-carboxylic acid
• SMILES: CC(C)Cn1nc(Cc2cnccc2C(=O)O)c2cc(F)ccc21.CCC(O)Cn1nc(Cc2cnccc2C(=O)O)c2cc(F)ccc21.CCCn1nc(Cc2cnccc2C(=O)O)c2cc(C)ccc21.CN(C)CC#CCn1nc(Cc2cnccc2C(=O)O)c2cc(Cl)ccc21.Cn1cc(Cc2cnccc2C(=O)O)c2cccnc21.O=C(O)c1ccncc1Cc1nn(CCN2CCCC2)c2ccc(F)cc12
• InChI: InChI=1S/C20H19ClN4O2.C20H21FN4O2.C18H18FN3O3.C18H18FN3O2.C18H19N3O2.C15H13N3O2/c1-24(2)9-3-4-10-25-19-6-5-15(21)12-17(19)18(23-25)11-14-13-22-8-7-16(14)20(26)27;21-15-3-4-19-17(12-15)18(11-14-13-22-6-5-16(14)20(26)27)23-25(19)10-9-24-7-1-2-8-24;1-2-13(23)10-22-17-4-3-12(19)8-15(17)16(21-22)7-11-9-20-6-5-14(11)18(24)25;1-11(2)10-22-17-4-3-13(19)8-15(17)16(21-22)7-12-9-20-6-5-14(12)18(23)24;1-3-8-21-17-5-4-12(2)9-15(17)16(20-21)10-13-11-19-7-6-14(13)18(22)23;1-18-9-11(12-3-2-5-17-14(12)18)7-10-8-16-6-4-13(10)15(19)20/h5-8,12-13H,9-11H2,1-2H3,(H,26,27);3-6,12-13H,1-2,7-11H2,(H,26,27);3-6,8-9,13,23H,2,7,10H2,1H3,(H,24,25);3-6,8-9,11H,7,10H2,1-2H3,(H,23,24);4-7,9,11H,3,8,10H2,1-2H3,(H,22,23);2-6,8-9H,7H2,1H3,(H,19,20)
• InChIKey: GUMYGKAZPVKFFR-UHFFFAOYSA-N
• XLogP: 17.74
• TPSA: 434.77 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 27
• Rotatable Bonds: 30
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1998.64
LogP ≤ 5	17.74
H-Bond Donors ≤ 5	7
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 3-[[5-chloro-1-[4-(dimethylamino)but-2-ynyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-hydroxybutyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-methylpropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-pyrrolidin-1-ylethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-methyl-1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(1-methylpyrrolo[2,3-b]pyridin-3-yl)methyl]pyridine-4-carboxylic acid?

The IUPAC name of 3-[[5-chloro-1-[4-(dimethylamino)but-2-ynyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-hydroxybutyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-methylpropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-pyrrolidin-1-ylethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-methyl-1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(1-methylpyrrolo[2,3-b]pyridin-3-yl)methyl]pyridine-4-carboxylic acid (CID 158370138) is 3-[[5-chloro-1-[4-(dimethylamino)but-2-ynyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-hydroxybutyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-methylpropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-pyrrolidin-1-ylethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-methyl-1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(1-methylpyrrolo[2,3-b]pyridin-3-yl)methyl]pyridine-4-carboxylic acid.

What is the SMILES notation for 3-[[5-chloro-1-[4-(dimethylamino)but-2-ynyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-hydroxybutyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-methylpropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-pyrrolidin-1-ylethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-methyl-1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(1-methylpyrrolo[2,3-b]pyridin-3-yl)methyl]pyridine-4-carboxylic acid?

The canonical SMILES for 3-[[5-chloro-1-[4-(dimethylamino)but-2-ynyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-hydroxybutyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-methylpropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-pyrrolidin-1-ylethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-methyl-1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(1-methylpyrrolo[2,3-b]pyridin-3-yl)methyl]pyridine-4-carboxylic acid is CC(C)Cn1nc(Cc2cnccc2C(=O)O)c2cc(F)ccc21.CCC(O)Cn1nc(Cc2cnccc2C(=O)O)c2cc(F)ccc21.CCCn1nc(Cc2cnccc2C(=O)O)c2cc(C)ccc21.CN(C)CC#CCn1nc(Cc2cnccc2C(=O)O)c2cc(Cl)ccc21.Cn1cc(Cc2cnccc2C(=O)O)c2cccnc21.O=C(O)c1ccncc1Cc1nn(CCN2CCCC2)c2ccc(F)cc12.

What is the InChIKey of 3-[[5-chloro-1-[4-(dimethylamino)but-2-ynyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-hydroxybutyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-methylpropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-pyrrolidin-1-ylethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-methyl-1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(1-methylpyrrolo[2,3-b]pyridin-3-yl)methyl]pyridine-4-carboxylic acid?

The InChIKey is GUMYGKAZPVKFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2.C20H21FN4O2.C18H18FN3O3.C18H18FN3O2.C18H19N3O2.C15H13N3O2/c1-24(2)9-3-4-10-25-19-6-5-15(21)12-17(19)18(23-25)11-14-13-22-8-7-16(14)20(26)27;21-15-3-4-19-17(12-15)18(11-14-13-22-6-5-16(14)20(26)27)23-25(19)10-9-24-7-1-2-8-24;1-2-13(23)10-22-17-4-3-12(19)8-15(17)16(21-22)7-11-9-20-6-5-14(11)18(24)25;1-11(2)10-22-17-4-3-13(19)8-15(17)16(21-22)7-12-9-20-6-5-14(12)18(23)24;1-3-8-21-17-5-4-12(2)9-15(17)16(20-21)10-13-11-19-7-6-14(13)18(22)23;1-18-9-11(12-3-2-5-17-14(12)18)7-10-8-16-6-4-13(10)15(19)20/h5-8,12-13H,9-11H2,1-2H3,(H,26,27);3-6,12-13H,1-2,7-11H2,(H,26,27);3-6,8-9,13,23H,2,7,10H2,1H3,(H,24,25);3-6,8-9,11H,7,10H2,1-2H3,(H,23,24);4-7,9,11H,3,8,10H2,1-2H3,(H,22,23);2-6,8-9H,7H2,1H3,(H,19,20).

What are the key properties of 3-[[5-chloro-1-[4-(dimethylamino)but-2-ynyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-hydroxybutyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-methylpropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-pyrrolidin-1-ylethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-methyl-1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(1-methylpyrrolo[2,3-b]pyridin-3-yl)methyl]pyridine-4-carboxylic acid?

3-[[5-chloro-1-[4-(dimethylamino)but-2-ynyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-hydroxybutyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-methylpropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-pyrrolidin-1-ylethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-methyl-1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(1-methylpyrrolo[2,3-b]pyridin-3-yl)methyl]pyridine-4-carboxylic acid has a molecular weight of 1998.64 g/mol, XLogP of 17.74, 30 rotatable bonds, 7 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[5-chloro-1-[4-(dimethylamino)but-2-ynyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-hydroxybutyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-methylpropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-pyrrolidin-1-ylethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-methyl-1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(1-methylpyrrolo[2,3-b]pyridin-3-yl)methyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 158370138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).