3-[[5-chloro-1-[5-(dimethylamino)pentyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[2-[2-(dimethylamino)ethoxy]ethyl]-5-methylindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[5-(dimethylamino)pentyl]-5-methylindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-(5,5-dimethylhexyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-(4,4-dimethylpentyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(3S)-oxolan-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid

C125H145ClF3N21O14 — CID 157145510

About 3-[[5-chloro-1-[5-(dimethylamino)pentyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[2-[2-(dimethylamino)ethoxy]ethyl]-5-methylindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[5-(dimethylamino)pentyl]-5-methylindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-(5,5-dimethylhexyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-(4,4-dimethylpentyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(3S)-oxolan-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid

3-[[5-chloro-1-[5-(dimethylamino)pentyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[2-[2-(dimethylamino)ethoxy]ethyl]-5-methylindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[5-(dimethylamino)pentyl]-5-methylindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-(5,5-dimethylhexyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-(4,4-dimethylpentyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(3S)-oxolan-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid (PubChem CID 157145510) has the molecular formula C125H145ClF3N21O14 and a molecular weight of 2258.11 g/mol. Its IUPAC name is 3-[[5-chloro-1-[5-(dimethylamino)pentyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[2-[2-(dimethylamino)ethoxy]ethyl]-5-methylindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[5-(dimethylamino)pentyl]-5-methylindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-(5,5-dimethylhexyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-(4,4-dimethylpentyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(3S)-oxolan-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid.

Molecular Properties

• Compound Name: 3-[[5-chloro-1-[5-(dimethylamino)pentyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[2-[2-(dimethylamino)ethoxy]ethyl]-5-methylindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[5-(dimethylamino)pentyl]-5-methylindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-(5,5-dimethylhexyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-(4,4-dimethylpentyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(3S)-oxolan-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid
• PubChem CID: 157145510
• Molecular Formula: C125H145ClF3N21O14
• Molecular Weight: 2258.11 g/mol
• Exact Mass: 2256.09
• IUPAC Name: 3-[[5-chloro-1-[5-(dimethylamino)pentyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[2-[2-(dimethylamino)ethoxy]ethyl]-5-methylindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[5-(dimethylamino)pentyl]-5-methylindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-(5,5-dimethylhexyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-(4,4-dimethylpentyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(3S)-oxolan-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid
• SMILES: CC(C)(C)CCCCn1nc(Cc2cnccc2C(=O)O)c2cc(F)ccc21.CC(C)(C)CCCn1nc(Cc2cnccc2C(=O)O)c2cc(F)ccc21.CN(C)CCCCCn1nc(Cc2cnccc2C(=O)O)c2cc(Cl)ccc21.Cc1ccc2c(c1)c(Cc1cnccc1C(=O)O)nn2CCCCCN(C)C.Cc1ccc2c(c1)c(Cc1cnccc1C(=O)O)nn2CCOCCN(C)C.O=C(O)c1ccncc1Cc1nn([C@H]2CCOC2)c2ccc(F)cc12
• InChI: InChI=1S/C22H26FN3O2.C22H28N4O2.C21H25ClN4O2.C21H24FN3O2.C21H26N4O3.C18H16FN3O3/c1-22(2,3)9-4-5-11-26-20-7-6-16(23)13-18(20)19(25-26)12-15-14-24-10-8-17(15)21(27)28;1-16-7-8-21-19(13-16)20(14-17-15-23-10-9-18(17)22(27)28)24-26(21)12-6-4-5-11-25(2)3;1-25(2)10-4-3-5-11-26-20-7-6-16(22)13-18(20)19(24-26)12-15-14-23-9-8-17(15)21(27)28;1-21(2,3)8-4-10-25-19-6-5-15(22)12-17(19)18(24-25)11-14-13-23-9-7-16(14)20(26)27;1-15-4-5-20-18(12-15)19(13-16-14-22-7-6-17(16)21(26)27)23-25(20)9-11-28-10-8-24(2)3;19-12-1-2-17-15(8-12)16(21-22(17)13-4-6-25-10-13)7-11-9-20-5-3-14(11)18(23)24/h6-8,10,13-14H,4-5,9,11-12H2,1-3H3,(H,27,28);7-10,13,15H,4-6,11-12,14H2,1-3H3,(H,27,28);6-9,13-14H,3-5,10-12H2,1-2H3,(H,27,28);5-7,9,12-13H,4,8,10-11H2,1-3H3,(H,26,27);4-7,12,14H,8-11,13H2,1-3H3,(H,26,27);1-3,5,8-9,13H,4,6-7,10H2,(H,23,24)/t;;;;;13-/m.....0/s1
• InChIKey: AKQQHISNQBTSEV-PDFJQAGISA-N
• XLogP: 23.06
• TPSA: 436.24 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 29
• Rotatable Bonds: 44
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2258.11
LogP ≤ 5	23.06
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[[5-chloro-1-[5-(dimethylamino)pentyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[2-[2-(dimethylamino)ethoxy]ethyl]-5-methylindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[5-(dimethylamino)pentyl]-5-methylindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-(5,5-dimethylhexyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-(4,4-dimethylpentyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(3S)-oxolan-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid?

The IUPAC name of 3-[[5-chloro-1-[5-(dimethylamino)pentyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[2-[2-(dimethylamino)ethoxy]ethyl]-5-methylindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[5-(dimethylamino)pentyl]-5-methylindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-(5,5-dimethylhexyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-(4,4-dimethylpentyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(3S)-oxolan-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid (CID 157145510) is 3-[[5-chloro-1-[5-(dimethylamino)pentyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[2-[2-(dimethylamino)ethoxy]ethyl]-5-methylindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[5-(dimethylamino)pentyl]-5-methylindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-(5,5-dimethylhexyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-(4,4-dimethylpentyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(3S)-oxolan-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid.

What is the SMILES notation for 3-[[5-chloro-1-[5-(dimethylamino)pentyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[2-[2-(dimethylamino)ethoxy]ethyl]-5-methylindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[5-(dimethylamino)pentyl]-5-methylindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-(5,5-dimethylhexyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-(4,4-dimethylpentyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(3S)-oxolan-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid?

The canonical SMILES for 3-[[5-chloro-1-[5-(dimethylamino)pentyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[2-[2-(dimethylamino)ethoxy]ethyl]-5-methylindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[5-(dimethylamino)pentyl]-5-methylindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-(5,5-dimethylhexyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-(4,4-dimethylpentyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(3S)-oxolan-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid is CC(C)(C)CCCCn1nc(Cc2cnccc2C(=O)O)c2cc(F)ccc21.CC(C)(C)CCCn1nc(Cc2cnccc2C(=O)O)c2cc(F)ccc21.CN(C)CCCCCn1nc(Cc2cnccc2C(=O)O)c2cc(Cl)ccc21.Cc1ccc2c(c1)c(Cc1cnccc1C(=O)O)nn2CCCCCN(C)C.Cc1ccc2c(c1)c(Cc1cnccc1C(=O)O)nn2CCOCCN(C)C.O=C(O)c1ccncc1Cc1nn([C@H]2CCOC2)c2ccc(F)cc12.

What is the InChIKey of 3-[[5-chloro-1-[5-(dimethylamino)pentyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[2-[2-(dimethylamino)ethoxy]ethyl]-5-methylindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[5-(dimethylamino)pentyl]-5-methylindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-(5,5-dimethylhexyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-(4,4-dimethylpentyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(3S)-oxolan-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid?

The InChIKey is AKQQHISNQBTSEV-PDFJQAGISA-N. The full InChI is InChI=1S/C22H26FN3O2.C22H28N4O2.C21H25ClN4O2.C21H24FN3O2.C21H26N4O3.C18H16FN3O3/c1-22(2,3)9-4-5-11-26-20-7-6-16(23)13-18(20)19(25-26)12-15-14-24-10-8-17(15)21(27)28;1-16-7-8-21-19(13-16)20(14-17-15-23-10-9-18(17)22(27)28)24-26(21)12-6-4-5-11-25(2)3;1-25(2)10-4-3-5-11-26-20-7-6-16(22)13-18(20)19(24-26)12-15-14-23-9-8-17(15)21(27)28;1-21(2,3)8-4-10-25-19-6-5-15(22)12-17(19)18(24-25)11-14-13-23-9-7-16(14)20(26)27;1-15-4-5-20-18(12-15)19(13-16-14-22-7-6-17(16)21(26)27)23-25(20)9-11-28-10-8-24(2)3;19-12-1-2-17-15(8-12)16(21-22(17)13-4-6-25-10-13)7-11-9-20-5-3-14(11)18(23)24/h6-8,10,13-14H,4-5,9,11-12H2,1-3H3,(H,27,28);7-10,13,15H,4-6,11-12,14H2,1-3H3,(H,27,28);6-9,13-14H,3-5,10-12H2,1-2H3,(H,27,28);5-7,9,12-13H,4,8,10-11H2,1-3H3,(H,26,27);4-7,12,14H,8-11,13H2,1-3H3,(H,26,27);1-3,5,8-9,13H,4,6-7,10H2,(H,23,24)/t;;;;;13-/m.....0/s1.

What are the key properties of 3-[[5-chloro-1-[5-(dimethylamino)pentyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[2-[2-(dimethylamino)ethoxy]ethyl]-5-methylindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[5-(dimethylamino)pentyl]-5-methylindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-(5,5-dimethylhexyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-(4,4-dimethylpentyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(3S)-oxolan-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid?

3-[[5-chloro-1-[5-(dimethylamino)pentyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[2-[2-(dimethylamino)ethoxy]ethyl]-5-methylindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[5-(dimethylamino)pentyl]-5-methylindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-(5,5-dimethylhexyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-(4,4-dimethylpentyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(3S)-oxolan-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid has a molecular weight of 2258.11 g/mol, XLogP of 23.06, 44 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[5-chloro-1-[5-(dimethylamino)pentyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[2-[2-(dimethylamino)ethoxy]ethyl]-5-methylindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[5-(dimethylamino)pentyl]-5-methylindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-(5,5-dimethylhexyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-(4,4-dimethylpentyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(3S)-oxolan-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 157145510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).