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

C148H176ClF4N29O17 — CID 157357014

About 3-[[5-chloro-1-[5-(dimethylamino)pentyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[2-[2-(dimethylamino)ethoxy]ethyl]-5-fluoroindazol-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)methyl]oxolan-2-yl]methyl]-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[5-(dimethylamino)pentyl]-5-fluoroindazol-3-yl]methyl]pyridazine-4-carboxylic acid;3-[[1-[5-(dimethylamino)pentyl]-5-methylindazol-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-chloro-1-[5-(dimethylamino)pentyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[2-[2-(dimethylamino)ethoxy]ethyl]-5-fluoroindazol-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)methyl]oxolan-2-yl]methyl]-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[5-(dimethylamino)pentyl]-5-fluoroindazol-3-yl]methyl]pyridazine-4-carboxylic acid;3-[[1-[5-(dimethylamino)pentyl]-5-methylindazol-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 (PubChem CID 157357014) has the molecular formula C148H176ClF4N29O17 and a molecular weight of 2744.67 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-fluoroindazol-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)methyl]oxolan-2-yl]methyl]-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[5-(dimethylamino)pentyl]-5-fluoroindazol-3-yl]methyl]pyridazine-4-carboxylic acid;3-[[1-[5-(dimethylamino)pentyl]-5-methylindazol-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.

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-fluoroindazol-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)methyl]oxolan-2-yl]methyl]-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[5-(dimethylamino)pentyl]-5-fluoroindazol-3-yl]methyl]pyridazine-4-carboxylic acid;3-[[1-[5-(dimethylamino)pentyl]-5-methylindazol-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
• PubChem CID: 157357014
• Molecular Formula: C148H176ClF4N29O17
• Molecular Weight: 2744.67 g/mol
• Exact Mass: 2742.34
• 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-fluoroindazol-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)methyl]oxolan-2-yl]methyl]-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[5-(dimethylamino)pentyl]-5-fluoroindazol-3-yl]methyl]pyridazine-4-carboxylic acid;3-[[1-[5-(dimethylamino)pentyl]-5-methylindazol-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
• SMILES: CN(C)CC1CCC(Cn2nc(Cc3cnccc3C(=O)O)c3cc(F)ccc32)O1.CN(C)CCCCCn1nc(Cc2cnccc2C(=O)O)c2cc(Cl)ccc21.CN(C)CCCCCn1nc(Cc2nnccc2C(=O)O)c2cc(F)ccc21.CN(C)CCOCCn1nc(Cc2cnccc2C(=O)O)c2cc(F)ccc21.CN1CCC(CCn2nc(Cc3cnccc3C(=O)O)c3cc(F)ccc32)CC1.Cc1ccc2c(c1)c(Cc1cnccc1C(=O)O)nn2CCCCCN(C)C.Cc1ccc2c(c1)c(Cc1cnccc1C(=O)O)nn2CCOCCN(C)C
• InChI: InChI=1S/C22H25FN4O3.C22H25FN4O2.C22H28N4O2.C21H25ClN4O2.C21H26N4O3.C20H24FN5O2.C20H23FN4O3/c1-26(2)12-16-4-5-17(30-16)13-27-21-6-3-15(23)10-19(21)20(25-27)9-14-11-24-8-7-18(14)22(28)29;1-26-9-5-15(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;1-16-7-8-21-19(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;1-15-4-5-20-18(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;1-25(2)10-4-3-5-11-26-19-7-6-14(21)12-16(19)18(24-26)13-17-15(20(27)28)8-9-22-23-17;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/h3,6-8,10-11,16-17H,4-5,9,12-13H2,1-2H3,(H,28,29);2-4,8,13-15H,5-7,9-12H2,1H3,(H,28,29);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);4-7,12,14H,8-11,13H2,1-3H3,(H,26,27);6-9,12H,3-5,10-11,13H2,1-2H3,(H,27,28);3-6,12-13H,7-11H2,1-2H3,(H,26,27)
• InChIKey: BIEYNLFGKAAPLN-UHFFFAOYSA-N
• XLogP: 22.46
• TPSA: 539.33 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 39
• Rotatable Bonds: 58
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2744.67
LogP ≤ 5	22.46
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	39

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-fluoroindazol-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)methyl]oxolan-2-yl]methyl]-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[5-(dimethylamino)pentyl]-5-fluoroindazol-3-yl]methyl]pyridazine-4-carboxylic acid;3-[[1-[5-(dimethylamino)pentyl]-5-methylindazol-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?

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-fluoroindazol-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)methyl]oxolan-2-yl]methyl]-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[5-(dimethylamino)pentyl]-5-fluoroindazol-3-yl]methyl]pyridazine-4-carboxylic acid;3-[[1-[5-(dimethylamino)pentyl]-5-methylindazol-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 (CID 157357014) is 3-[[5-chloro-1-[5-(dimethylamino)pentyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[2-[2-(dimethylamino)ethoxy]ethyl]-5-fluoroindazol-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)methyl]oxolan-2-yl]methyl]-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[5-(dimethylamino)pentyl]-5-fluoroindazol-3-yl]methyl]pyridazine-4-carboxylic acid;3-[[1-[5-(dimethylamino)pentyl]-5-methylindazol-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.

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-fluoroindazol-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)methyl]oxolan-2-yl]methyl]-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[5-(dimethylamino)pentyl]-5-fluoroindazol-3-yl]methyl]pyridazine-4-carboxylic acid;3-[[1-[5-(dimethylamino)pentyl]-5-methylindazol-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?

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-fluoroindazol-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)methyl]oxolan-2-yl]methyl]-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[5-(dimethylamino)pentyl]-5-fluoroindazol-3-yl]methyl]pyridazine-4-carboxylic acid;3-[[1-[5-(dimethylamino)pentyl]-5-methylindazol-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 is CN(C)CC1CCC(Cn2nc(Cc3cnccc3C(=O)O)c3cc(F)ccc32)O1.CN(C)CCCCCn1nc(Cc2cnccc2C(=O)O)c2cc(Cl)ccc21.CN(C)CCCCCn1nc(Cc2nnccc2C(=O)O)c2cc(F)ccc21.CN(C)CCOCCn1nc(Cc2cnccc2C(=O)O)c2cc(F)ccc21.CN1CCC(CCn2nc(Cc3cnccc3C(=O)O)c3cc(F)ccc32)CC1.Cc1ccc2c(c1)c(Cc1cnccc1C(=O)O)nn2CCCCCN(C)C.Cc1ccc2c(c1)c(Cc1cnccc1C(=O)O)nn2CCOCCN(C)C.

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-fluoroindazol-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)methyl]oxolan-2-yl]methyl]-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[5-(dimethylamino)pentyl]-5-fluoroindazol-3-yl]methyl]pyridazine-4-carboxylic acid;3-[[1-[5-(dimethylamino)pentyl]-5-methylindazol-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?

The InChIKey is BIEYNLFGKAAPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O3.C22H25FN4O2.C22H28N4O2.C21H25ClN4O2.C21H26N4O3.C20H24FN5O2.C20H23FN4O3/c1-26(2)12-16-4-5-17(30-16)13-27-21-6-3-15(23)10-19(21)20(25-27)9-14-11-24-8-7-18(14)22(28)29;1-26-9-5-15(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;1-16-7-8-21-19(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;1-15-4-5-20-18(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;1-25(2)10-4-3-5-11-26-19-7-6-14(21)12-16(19)18(24-26)13-17-15(20(27)28)8-9-22-23-17;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/h3,6-8,10-11,16-17H,4-5,9,12-13H2,1-2H3,(H,28,29);2-4,8,13-15H,5-7,9-12H2,1H3,(H,28,29);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);4-7,12,14H,8-11,13H2,1-3H3,(H,26,27);6-9,12H,3-5,10-11,13H2,1-2H3,(H,27,28);3-6,12-13H,7-11H2,1-2H3,(H,26,27).

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-fluoroindazol-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)methyl]oxolan-2-yl]methyl]-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[5-(dimethylamino)pentyl]-5-fluoroindazol-3-yl]methyl]pyridazine-4-carboxylic acid;3-[[1-[5-(dimethylamino)pentyl]-5-methylindazol-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-chloro-1-[5-(dimethylamino)pentyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[2-[2-(dimethylamino)ethoxy]ethyl]-5-fluoroindazol-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)methyl]oxolan-2-yl]methyl]-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[5-(dimethylamino)pentyl]-5-fluoroindazol-3-yl]methyl]pyridazine-4-carboxylic acid;3-[[1-[5-(dimethylamino)pentyl]-5-methylindazol-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 has a molecular weight of 2744.67 g/mol, XLogP of 22.46, 58 rotatable bonds, 7 hydrogen bond donors, and 39 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-fluoroindazol-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)methyl]oxolan-2-yl]methyl]-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[5-(dimethylamino)pentyl]-5-fluoroindazol-3-yl]methyl]pyridazine-4-carboxylic acid;3-[[1-[5-(dimethylamino)pentyl]-5-methylindazol-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 is sourced from PubChem (CID 157357014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).