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

C115H121ClF5N25O14 — CID 158913771

About 3-[[5-chloro-1-[(3S)-oxolan-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[2-[2-(dimethylamino)ethoxy]ethyl]-5-fluoroindazol-3-yl]methyl]pyridazine-4-carboxylic acid;3-[[1-[5-(dimethylamino)pentyl]-5-fluoroindazol-3-yl]methyl]pyridazine-4-carboxylic acid;3-[[5-fluoro-1-[2-(1-methylpiperidin-4-yl)ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(3S)-pyrrolidin-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(3R)-pyrrolidin-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid

3-[[5-chloro-1-[(3S)-oxolan-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[2-[2-(dimethylamino)ethoxy]ethyl]-5-fluoroindazol-3-yl]methyl]pyridazine-4-carboxylic acid;3-[[1-[5-(dimethylamino)pentyl]-5-fluoroindazol-3-yl]methyl]pyridazine-4-carboxylic acid;3-[[5-fluoro-1-[2-(1-methylpiperidin-4-yl)ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(3S)-pyrrolidin-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(3R)-pyrrolidin-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid (PubChem CID 158913771) has the molecular formula C115H121ClF5N25O14 and a molecular weight of 2207.84 g/mol. Its IUPAC name is 3-[[5-chloro-1-[(3S)-oxolan-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[2-[2-(dimethylamino)ethoxy]ethyl]-5-fluoroindazol-3-yl]methyl]pyridazine-4-carboxylic acid;3-[[1-[5-(dimethylamino)pentyl]-5-fluoroindazol-3-yl]methyl]pyridazine-4-carboxylic acid;3-[[5-fluoro-1-[2-(1-methylpiperidin-4-yl)ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(3S)-pyrrolidin-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(3R)-pyrrolidin-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid.

Molecular Properties

• Compound Name: 3-[[5-chloro-1-[(3S)-oxolan-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[2-[2-(dimethylamino)ethoxy]ethyl]-5-fluoroindazol-3-yl]methyl]pyridazine-4-carboxylic acid;3-[[1-[5-(dimethylamino)pentyl]-5-fluoroindazol-3-yl]methyl]pyridazine-4-carboxylic acid;3-[[5-fluoro-1-[2-(1-methylpiperidin-4-yl)ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(3S)-pyrrolidin-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(3R)-pyrrolidin-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid
• PubChem CID: 158913771
• Molecular Formula: C115H121ClF5N25O14
• Molecular Weight: 2207.84 g/mol
• Exact Mass: 2205.91
• IUPAC Name: 3-[[5-chloro-1-[(3S)-oxolan-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[2-[2-(dimethylamino)ethoxy]ethyl]-5-fluoroindazol-3-yl]methyl]pyridazine-4-carboxylic acid;3-[[1-[5-(dimethylamino)pentyl]-5-fluoroindazol-3-yl]methyl]pyridazine-4-carboxylic acid;3-[[5-fluoro-1-[2-(1-methylpiperidin-4-yl)ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(3S)-pyrrolidin-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(3R)-pyrrolidin-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid
• SMILES: CN(C)CCCCCn1nc(Cc2nnccc2C(=O)O)c2cc(F)ccc21.CN(C)CCOCCn1nc(Cc2nnccc2C(=O)O)c2cc(F)ccc21.CN1CCC(CCn2nc(Cc3cnccc3C(=O)O)c3cc(F)ccc32)CC1.O=C(O)c1ccncc1Cc1nn([C@@H]2CCNC2)c2ccc(F)cc12.O=C(O)c1ccncc1Cc1nn([C@H]2CCNC2)c2ccc(F)cc12.O=C(O)c1ccncc1Cc1nn([C@H]2CCOC2)c2ccc(Cl)cc12
• InChI: InChI=1S/C22H25FN4O2.C20H24FN5O2.C19H22FN5O3.C18H16ClN3O3.2C18H17FN4O2/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;1-25(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)7-9-28-10-8-25-18-4-3-13(20)11-15(18)17(23-25)12-16-14(19(26)27)5-6-21-22-16;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;2*19-12-1-2-17-15(8-12)16(22-23(17)13-3-5-21-10-13)7-11-9-20-6-4-14(11)18(24)25/h2-4,8,13-15H,5-7,9-12H2,1H3,(H,28,29);6-9,12H,3-5,10-11,13H2,1-2H3,(H,27,28);3-6,11H,7-10,12H2,1-2H3,(H,26,27);1-3,5,8-9,13H,4,6-7,10H2,(H,23,24);2*1-2,4,6,8-9,13,21H,3,5,7,10H2,(H,24,25)/t;;;3*13-/m...010/s1
• InChIKey: JGZBEIDYJBFOON-JMRIRYKXSA-N
• XLogP: 16.53
• TPSA: 486.08 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 33
• Rotatable Bonds: 36
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2207.84
LogP ≤ 5	16.53
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	33

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-[(3S)-oxolan-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[2-[2-(dimethylamino)ethoxy]ethyl]-5-fluoroindazol-3-yl]methyl]pyridazine-4-carboxylic acid;3-[[1-[5-(dimethylamino)pentyl]-5-fluoroindazol-3-yl]methyl]pyridazine-4-carboxylic acid;3-[[5-fluoro-1-[2-(1-methylpiperidin-4-yl)ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(3S)-pyrrolidin-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(3R)-pyrrolidin-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid?

The IUPAC name of 3-[[5-chloro-1-[(3S)-oxolan-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[2-[2-(dimethylamino)ethoxy]ethyl]-5-fluoroindazol-3-yl]methyl]pyridazine-4-carboxylic acid;3-[[1-[5-(dimethylamino)pentyl]-5-fluoroindazol-3-yl]methyl]pyridazine-4-carboxylic acid;3-[[5-fluoro-1-[2-(1-methylpiperidin-4-yl)ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(3S)-pyrrolidin-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(3R)-pyrrolidin-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid (CID 158913771) is 3-[[5-chloro-1-[(3S)-oxolan-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[2-[2-(dimethylamino)ethoxy]ethyl]-5-fluoroindazol-3-yl]methyl]pyridazine-4-carboxylic acid;3-[[1-[5-(dimethylamino)pentyl]-5-fluoroindazol-3-yl]methyl]pyridazine-4-carboxylic acid;3-[[5-fluoro-1-[2-(1-methylpiperidin-4-yl)ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(3S)-pyrrolidin-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(3R)-pyrrolidin-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid.

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

The canonical SMILES for 3-[[5-chloro-1-[(3S)-oxolan-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[2-[2-(dimethylamino)ethoxy]ethyl]-5-fluoroindazol-3-yl]methyl]pyridazine-4-carboxylic acid;3-[[1-[5-(dimethylamino)pentyl]-5-fluoroindazol-3-yl]methyl]pyridazine-4-carboxylic acid;3-[[5-fluoro-1-[2-(1-methylpiperidin-4-yl)ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(3S)-pyrrolidin-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(3R)-pyrrolidin-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid is CN(C)CCCCCn1nc(Cc2nnccc2C(=O)O)c2cc(F)ccc21.CN(C)CCOCCn1nc(Cc2nnccc2C(=O)O)c2cc(F)ccc21.CN1CCC(CCn2nc(Cc3cnccc3C(=O)O)c3cc(F)ccc32)CC1.O=C(O)c1ccncc1Cc1nn([C@@H]2CCNC2)c2ccc(F)cc12.O=C(O)c1ccncc1Cc1nn([C@H]2CCNC2)c2ccc(F)cc12.O=C(O)c1ccncc1Cc1nn([C@H]2CCOC2)c2ccc(Cl)cc12.

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

The InChIKey is JGZBEIDYJBFOON-JMRIRYKXSA-N. The full InChI is InChI=1S/C22H25FN4O2.C20H24FN5O2.C19H22FN5O3.C18H16ClN3O3.2C18H17FN4O2/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;1-25(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)7-9-28-10-8-25-18-4-3-13(20)11-15(18)17(23-25)12-16-14(19(26)27)5-6-21-22-16;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;2*19-12-1-2-17-15(8-12)16(22-23(17)13-3-5-21-10-13)7-11-9-20-6-4-14(11)18(24)25/h2-4,8,13-15H,5-7,9-12H2,1H3,(H,28,29);6-9,12H,3-5,10-11,13H2,1-2H3,(H,27,28);3-6,11H,7-10,12H2,1-2H3,(H,26,27);1-3,5,8-9,13H,4,6-7,10H2,(H,23,24);2*1-2,4,6,8-9,13,21H,3,5,7,10H2,(H,24,25)/t;;;3*13-/m...010/s1.

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

3-[[5-chloro-1-[(3S)-oxolan-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[2-[2-(dimethylamino)ethoxy]ethyl]-5-fluoroindazol-3-yl]methyl]pyridazine-4-carboxylic acid;3-[[1-[5-(dimethylamino)pentyl]-5-fluoroindazol-3-yl]methyl]pyridazine-4-carboxylic acid;3-[[5-fluoro-1-[2-(1-methylpiperidin-4-yl)ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(3S)-pyrrolidin-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(3R)-pyrrolidin-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid has a molecular weight of 2207.84 g/mol, XLogP of 16.53, 36 rotatable bonds, 8 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[5-chloro-1-[(3S)-oxolan-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[2-[2-(dimethylamino)ethoxy]ethyl]-5-fluoroindazol-3-yl]methyl]pyridazine-4-carboxylic acid;3-[[1-[5-(dimethylamino)pentyl]-5-fluoroindazol-3-yl]methyl]pyridazine-4-carboxylic acid;3-[[5-fluoro-1-[2-(1-methylpiperidin-4-yl)ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(3S)-pyrrolidin-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(3R)-pyrrolidin-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 158913771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).