3-[(1-butyl-5-fluoroindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-chloro-1-[2-[2-(dimethylamino)ethoxy]ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[2-(1-methylpiperidin-4-yl)ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-(3,3,3-trifluoropropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid

C78H82ClF5N14O9 — CID 158141703

About 3-[(1-butyl-5-fluoroindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-chloro-1-[2-[2-(dimethylamino)ethoxy]ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[2-(1-methylpiperidin-4-yl)ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-(3,3,3-trifluoropropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid

3-[(1-butyl-5-fluoroindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-chloro-1-[2-[2-(dimethylamino)ethoxy]ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[2-(1-methylpiperidin-4-yl)ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-(3,3,3-trifluoropropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid (PubChem CID 158141703) has the molecular formula C78H82ClF5N14O9 and a molecular weight of 1490.05 g/mol. Its IUPAC name is 3-[(1-butyl-5-fluoroindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-chloro-1-[2-[2-(dimethylamino)ethoxy]ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[2-(1-methylpiperidin-4-yl)ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-(3,3,3-trifluoropropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid.

Molecular Properties

• Compound Name: 3-[(1-butyl-5-fluoroindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-chloro-1-[2-[2-(dimethylamino)ethoxy]ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[2-(1-methylpiperidin-4-yl)ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-(3,3,3-trifluoropropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid
• PubChem CID: 158141703
• Molecular Formula: C78H82ClF5N14O9
• Molecular Weight: 1490.05 g/mol
• Exact Mass: 1488.60
• IUPAC Name: 3-[(1-butyl-5-fluoroindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-chloro-1-[2-[2-(dimethylamino)ethoxy]ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[2-(1-methylpiperidin-4-yl)ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-(3,3,3-trifluoropropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid
• SMILES: CCCCn1nc(Cc2cnccc2C(=O)O)c2cc(F)ccc21.CN(C)CCOCCn1nc(Cc2cnccc2C(=O)O)c2cc(Cl)ccc21.CN1CCC(CCn2nc(Cc3cnccc3C(=O)O)c3cc(F)ccc32)CC1.Cc1ccc2c(c1)c(Cc1cnccc1C(=O)O)nn2CCC(F)(F)F
• InChI: InChI=1S/C22H25FN4O2.C20H23ClN4O3.C18H16F3N3O2.C18H18FN3O2/c1-26-9-5-15(6-10-26)7-11-27-21-3-2-17(23)13-19(21)20(25-27)12-16-14-24-8-4-18(16)22(28)29;1-24(2)7-9-28-10-8-25-19-4-3-15(21)12-17(19)18(23-25)11-14-13-22-6-5-16(14)20(26)27;1-11-2-3-16-14(8-11)15(23-24(16)7-5-18(19,20)21)9-12-10-22-6-4-13(12)17(25)26;1-2-3-8-22-17-5-4-13(19)10-15(17)16(21-22)9-12-11-20-7-6-14(12)18(23)24/h2-4,8,13-15H,5-7,9-12H2,1H3,(H,28,29);3-6,12-13H,7-11H2,1-2H3,(H,26,27);2-4,6,8,10H,5,7,9H2,1H3,(H,25,26);4-7,10-11H,2-3,8-9H2,1H3,(H,23,24)
• InChIKey: FUAGJYUNTDQIRM-UHFFFAOYSA-N
• XLogP: 14.18
• TPSA: 287.75 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 19
• Rotatable Bonds: 26
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1490.05
LogP ≤ 5	14.18
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[(1-butyl-5-fluoroindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-chloro-1-[2-[2-(dimethylamino)ethoxy]ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[2-(1-methylpiperidin-4-yl)ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-(3,3,3-trifluoropropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid?

The IUPAC name of 3-[(1-butyl-5-fluoroindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-chloro-1-[2-[2-(dimethylamino)ethoxy]ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[2-(1-methylpiperidin-4-yl)ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-(3,3,3-trifluoropropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid (CID 158141703) is 3-[(1-butyl-5-fluoroindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-chloro-1-[2-[2-(dimethylamino)ethoxy]ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[2-(1-methylpiperidin-4-yl)ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-(3,3,3-trifluoropropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid.

What is the SMILES notation for 3-[(1-butyl-5-fluoroindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-chloro-1-[2-[2-(dimethylamino)ethoxy]ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[2-(1-methylpiperidin-4-yl)ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-(3,3,3-trifluoropropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid?

The canonical SMILES for 3-[(1-butyl-5-fluoroindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-chloro-1-[2-[2-(dimethylamino)ethoxy]ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[2-(1-methylpiperidin-4-yl)ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-(3,3,3-trifluoropropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid is CCCCn1nc(Cc2cnccc2C(=O)O)c2cc(F)ccc21.CN(C)CCOCCn1nc(Cc2cnccc2C(=O)O)c2cc(Cl)ccc21.CN1CCC(CCn2nc(Cc3cnccc3C(=O)O)c3cc(F)ccc32)CC1.Cc1ccc2c(c1)c(Cc1cnccc1C(=O)O)nn2CCC(F)(F)F.

What is the InChIKey of 3-[(1-butyl-5-fluoroindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-chloro-1-[2-[2-(dimethylamino)ethoxy]ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[2-(1-methylpiperidin-4-yl)ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-(3,3,3-trifluoropropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid?

The InChIKey is FUAGJYUNTDQIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O2.C20H23ClN4O3.C18H16F3N3O2.C18H18FN3O2/c1-26-9-5-15(6-10-26)7-11-27-21-3-2-17(23)13-19(21)20(25-27)12-16-14-24-8-4-18(16)22(28)29;1-24(2)7-9-28-10-8-25-19-4-3-15(21)12-17(19)18(23-25)11-14-13-22-6-5-16(14)20(26)27;1-11-2-3-16-14(8-11)15(23-24(16)7-5-18(19,20)21)9-12-10-22-6-4-13(12)17(25)26;1-2-3-8-22-17-5-4-13(19)10-15(17)16(21-22)9-12-11-20-7-6-14(12)18(23)24/h2-4,8,13-15H,5-7,9-12H2,1H3,(H,28,29);3-6,12-13H,7-11H2,1-2H3,(H,26,27);2-4,6,8,10H,5,7,9H2,1H3,(H,25,26);4-7,10-11H,2-3,8-9H2,1H3,(H,23,24).

What are the key properties of 3-[(1-butyl-5-fluoroindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-chloro-1-[2-[2-(dimethylamino)ethoxy]ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[2-(1-methylpiperidin-4-yl)ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-(3,3,3-trifluoropropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid?

3-[(1-butyl-5-fluoroindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-chloro-1-[2-[2-(dimethylamino)ethoxy]ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[2-(1-methylpiperidin-4-yl)ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-(3,3,3-trifluoropropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid has a molecular weight of 1490.05 g/mol, XLogP of 14.18, 26 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(1-butyl-5-fluoroindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-chloro-1-[2-[2-(dimethylamino)ethoxy]ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[2-(1-methylpiperidin-4-yl)ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-(3,3,3-trifluoropropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 158141703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).