3-[(5-chloro-1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[1-(2-cyclopropylethyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-(cyclopropylmethyl)-5-methylindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(1-ethyl-5-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;bis(3-[[5-methyl-1-(3,3,3-trifluoropropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid)

C108H102ClF7N18O12 — CID 158490027

About 3-[(5-chloro-1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[1-(2-cyclopropylethyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-(cyclopropylmethyl)-5-methylindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(1-ethyl-5-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;bis(3-[[5-methyl-1-(3,3,3-trifluoropropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid)

3-[(5-chloro-1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[1-(2-cyclopropylethyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-(cyclopropylmethyl)-5-methylindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(1-ethyl-5-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;bis(3-[[5-methyl-1-(3,3,3-trifluoropropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid) (PubChem CID 158490027) has the molecular formula C108H102ClF7N18O12 and a molecular weight of 2012.56 g/mol. Its IUPAC name is 3-[(5-chloro-1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[1-(2-cyclopropylethyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-(cyclopropylmethyl)-5-methylindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(1-ethyl-5-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;bis(3-[[5-methyl-1-(3,3,3-trifluoropropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid).

Molecular Properties

• Compound Name: 3-[(5-chloro-1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[1-(2-cyclopropylethyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-(cyclopropylmethyl)-5-methylindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(1-ethyl-5-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;bis(3-[[5-methyl-1-(3,3,3-trifluoropropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid)
• PubChem CID: 158490027
• Molecular Formula: C108H102ClF7N18O12
• Molecular Weight: 2012.56 g/mol
• Exact Mass: 2010.75
• IUPAC Name: 3-[(5-chloro-1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[1-(2-cyclopropylethyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-(cyclopropylmethyl)-5-methylindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(1-ethyl-5-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;bis(3-[[5-methyl-1-(3,3,3-trifluoropropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid)
• SMILES: CCCn1nc(Cc2cnccc2C(=O)O)c2cc(Cl)ccc21.CCn1nc(Cc2cnccc2C(=O)O)c2cc(C)ccc21.Cc1ccc2c(c1)c(Cc1cnccc1C(=O)O)nn2CC1CC1.Cc1ccc2c(c1)c(Cc1cnccc1C(=O)O)nn2CCC(F)(F)F.Cc1ccc2c(c1)c(Cc1cnccc1C(=O)O)nn2CCC(F)(F)F.O=C(O)c1ccncc1Cc1nn(CCC2CC2)c2ccc(F)cc12
• InChI: InChI=1S/C19H18FN3O2.C19H19N3O2.2C18H16F3N3O2.C17H16ClN3O2.C17H17N3O2/c20-14-3-4-18-16(10-14)17(22-23(18)8-6-12-1-2-12)9-13-11-21-7-5-15(13)19(24)25;1-12-2-5-18-16(8-12)17(21-22(18)11-13-3-4-13)9-14-10-20-7-6-15(14)19(23)24;2*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;1-2-7-21-16-4-3-12(18)9-14(16)15(20-21)8-11-10-19-6-5-13(11)17(22)23;1-3-20-16-5-4-11(2)8-14(16)15(19-20)9-12-10-18-7-6-13(12)17(21)22/h3-5,7,10-12H,1-2,6,8-9H2,(H,24,25);2,5-8,10,13H,3-4,9,11H2,1H3,(H,23,24);2*2-4,6,8,10H,5,7,9H2,1H3,(H,25,26);3-6,9-10H,2,7-8H2,1H3,(H,22,23);4-8,10H,3,9H2,1-2H3,(H,21,22)
• InChIKey: HIOVVLDEEMDRMX-UHFFFAOYSA-N
• XLogP: 21.89
• TPSA: 408.06 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 30
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2012.56
LogP ≤ 5	21.89
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[1-(2-cyclopropylethyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-(cyclopropylmethyl)-5-methylindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(1-ethyl-5-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;bis(3-[[5-methyl-1-(3,3,3-trifluoropropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid)?

The IUPAC name of 3-[(5-chloro-1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[1-(2-cyclopropylethyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-(cyclopropylmethyl)-5-methylindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(1-ethyl-5-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;bis(3-[[5-methyl-1-(3,3,3-trifluoropropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid) (CID 158490027) is 3-[(5-chloro-1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[1-(2-cyclopropylethyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-(cyclopropylmethyl)-5-methylindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(1-ethyl-5-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;bis(3-[[5-methyl-1-(3,3,3-trifluoropropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid).

What is the SMILES notation for 3-[(5-chloro-1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[1-(2-cyclopropylethyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-(cyclopropylmethyl)-5-methylindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(1-ethyl-5-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;bis(3-[[5-methyl-1-(3,3,3-trifluoropropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid)?

The canonical SMILES for 3-[(5-chloro-1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[1-(2-cyclopropylethyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-(cyclopropylmethyl)-5-methylindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(1-ethyl-5-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;bis(3-[[5-methyl-1-(3,3,3-trifluoropropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid) is CCCn1nc(Cc2cnccc2C(=O)O)c2cc(Cl)ccc21.CCn1nc(Cc2cnccc2C(=O)O)c2cc(C)ccc21.Cc1ccc2c(c1)c(Cc1cnccc1C(=O)O)nn2CC1CC1.Cc1ccc2c(c1)c(Cc1cnccc1C(=O)O)nn2CCC(F)(F)F.Cc1ccc2c(c1)c(Cc1cnccc1C(=O)O)nn2CCC(F)(F)F.O=C(O)c1ccncc1Cc1nn(CCC2CC2)c2ccc(F)cc12.

What is the InChIKey of 3-[(5-chloro-1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[1-(2-cyclopropylethyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-(cyclopropylmethyl)-5-methylindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(1-ethyl-5-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;bis(3-[[5-methyl-1-(3,3,3-trifluoropropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid)?

The InChIKey is HIOVVLDEEMDRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2.C19H19N3O2.2C18H16F3N3O2.C17H16ClN3O2.C17H17N3O2/c20-14-3-4-18-16(10-14)17(22-23(18)8-6-12-1-2-12)9-13-11-21-7-5-15(13)19(24)25;1-12-2-5-18-16(8-12)17(21-22(18)11-13-3-4-13)9-14-10-20-7-6-15(14)19(23)24;2*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;1-2-7-21-16-4-3-12(18)9-14(16)15(20-21)8-11-10-19-6-5-13(11)17(22)23;1-3-20-16-5-4-11(2)8-14(16)15(19-20)9-12-10-18-7-6-13(12)17(21)22/h3-5,7,10-12H,1-2,6,8-9H2,(H,24,25);2,5-8,10,13H,3-4,9,11H2,1H3,(H,23,24);2*2-4,6,8,10H,5,7,9H2,1H3,(H,25,26);3-6,9-10H,2,7-8H2,1H3,(H,22,23);4-8,10H,3,9H2,1-2H3,(H,21,22).

What are the key properties of 3-[(5-chloro-1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[1-(2-cyclopropylethyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-(cyclopropylmethyl)-5-methylindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(1-ethyl-5-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;bis(3-[[5-methyl-1-(3,3,3-trifluoropropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid)?

3-[(5-chloro-1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[1-(2-cyclopropylethyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-(cyclopropylmethyl)-5-methylindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(1-ethyl-5-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;bis(3-[[5-methyl-1-(3,3,3-trifluoropropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid) has a molecular weight of 2012.56 g/mol, XLogP of 21.89, 30 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(5-chloro-1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[1-(2-cyclopropylethyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-(cyclopropylmethyl)-5-methylindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(1-ethyl-5-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;bis(3-[[5-methyl-1-(3,3,3-trifluoropropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid) is sourced from PubChem (CID 158490027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).