6-(difluoromethyl)-5-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]pyridine-2-carboxylic acid;4-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]-3-(2-hydroxyethoxy)benzoic acid;3-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]-2-methylbenzoic acid

C78H65F5N10O8 — CID 162136295

About 6-(difluoromethyl)-5-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]pyridine-2-carboxylic acid;4-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]-3-(2-hydroxyethoxy)benzoic acid;3-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]-2-methylbenzoic acid

6-(difluoromethyl)-5-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]pyridine-2-carboxylic acid;4-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]-3-(2-hydroxyethoxy)benzoic acid;3-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]-2-methylbenzoic acid (PubChem CID 162136295) has the molecular formula C78H65F5N10O8 and a molecular weight of 1365.43 g/mol. Its IUPAC name is 6-(difluoromethyl)-5-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]pyridine-2-carboxylic acid;4-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]-3-(2-hydroxyethoxy)benzoic acid;3-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]-2-methylbenzoic acid.

Molecular Properties

• Compound Name: 6-(difluoromethyl)-5-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]pyridine-2-carboxylic acid;4-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]-3-(2-hydroxyethoxy)benzoic acid;3-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]-2-methylbenzoic acid
• PubChem CID: 162136295
• Molecular Formula: C78H65F5N10O8
• Molecular Weight: 1365.43 g/mol
• Exact Mass: 1364.49
• IUPAC Name: 6-(difluoromethyl)-5-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]pyridine-2-carboxylic acid;4-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]-3-(2-hydroxyethoxy)benzoic acid;3-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]-2-methylbenzoic acid
• SMILES: CC(C)c1c(-c2ccc(C(=O)O)cc2OCCO)c2cc3[nH]ncc3cc2n1-c1ccc(F)cc1.CC(C)c1c(-c2ccc(C(=O)O)nc2C(F)F)c2cc3[nH]ncc3cc2n1-c1ccc(F)cc1.Cc1c(C(=O)O)cccc1-c1c(C(C)C)n(-c2ccc(F)cc2)c2cc3cn[nH]c3cc12
• InChI: InChI=1S/C27H24FN3O4.C26H22FN3O2.C25H19F3N4O2/c1-15(2)26-25(20-8-3-16(27(33)34)12-24(20)35-10-9-32)21-13-22-17(14-29-30-22)11-23(21)31(26)19-6-4-18(28)5-7-19;1-14(2)25-24(19-5-4-6-20(15(19)3)26(31)32)21-12-22-16(13-28-29-22)11-23(21)30(25)18-9-7-17(27)8-10-18;1-12(2)23-21(16-7-8-18(25(33)34)30-22(16)24(27)28)17-10-19-13(11-29-31-19)9-20(17)32(23)15-5-3-14(26)4-6-15/h3-8,11-15,32H,9-10H2,1-2H3,(H,29,30)(H,33,34);4-14H,1-3H3,(H,28,29)(H,31,32);3-12,24H,1-2H3,(H,29,31)(H,33,34)
• InChIKey: ZJIIWDRHGDFLLE-UHFFFAOYSA-N
• XLogP: 18.42
• TPSA: 255.08 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 12
• Rotatable Bonds: 16
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1365.43
LogP ≤ 5	18.42
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-5-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]pyridine-2-carboxylic acid;4-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]-3-(2-hydroxyethoxy)benzoic acid;3-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]-2-methylbenzoic acid?

The IUPAC name of 6-(difluoromethyl)-5-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]pyridine-2-carboxylic acid;4-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]-3-(2-hydroxyethoxy)benzoic acid;3-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]-2-methylbenzoic acid (CID 162136295) is 6-(difluoromethyl)-5-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]pyridine-2-carboxylic acid;4-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]-3-(2-hydroxyethoxy)benzoic acid;3-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]-2-methylbenzoic acid.

What is the SMILES notation for 6-(difluoromethyl)-5-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]pyridine-2-carboxylic acid;4-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]-3-(2-hydroxyethoxy)benzoic acid;3-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]-2-methylbenzoic acid?

The canonical SMILES for 6-(difluoromethyl)-5-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]pyridine-2-carboxylic acid;4-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]-3-(2-hydroxyethoxy)benzoic acid;3-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]-2-methylbenzoic acid is CC(C)c1c(-c2ccc(C(=O)O)cc2OCCO)c2cc3[nH]ncc3cc2n1-c1ccc(F)cc1.CC(C)c1c(-c2ccc(C(=O)O)nc2C(F)F)c2cc3[nH]ncc3cc2n1-c1ccc(F)cc1.Cc1c(C(=O)O)cccc1-c1c(C(C)C)n(-c2ccc(F)cc2)c2cc3cn[nH]c3cc12.

What is the InChIKey of 6-(difluoromethyl)-5-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]pyridine-2-carboxylic acid;4-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]-3-(2-hydroxyethoxy)benzoic acid;3-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]-2-methylbenzoic acid?

The InChIKey is ZJIIWDRHGDFLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN3O4.C26H22FN3O2.C25H19F3N4O2/c1-15(2)26-25(20-8-3-16(27(33)34)12-24(20)35-10-9-32)21-13-22-17(14-29-30-22)11-23(21)31(26)19-6-4-18(28)5-7-19;1-14(2)25-24(19-5-4-6-20(15(19)3)26(31)32)21-12-22-16(13-28-29-22)11-23(21)30(25)18-9-7-17(27)8-10-18;1-12(2)23-21(16-7-8-18(25(33)34)30-22(16)24(27)28)17-10-19-13(11-29-31-19)9-20(17)32(23)15-5-3-14(26)4-6-15/h3-8,11-15,32H,9-10H2,1-2H3,(H,29,30)(H,33,34);4-14H,1-3H3,(H,28,29)(H,31,32);3-12,24H,1-2H3,(H,29,31)(H,33,34).

What are the key properties of 6-(difluoromethyl)-5-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]pyridine-2-carboxylic acid;4-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]-3-(2-hydroxyethoxy)benzoic acid;3-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]-2-methylbenzoic acid?

6-(difluoromethyl)-5-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]pyridine-2-carboxylic acid;4-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]-3-(2-hydroxyethoxy)benzoic acid;3-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]-2-methylbenzoic acid has a molecular weight of 1365.43 g/mol, XLogP of 18.42, 16 rotatable bonds, 7 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(difluoromethyl)-5-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]pyridine-2-carboxylic acid;4-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]-3-(2-hydroxyethoxy)benzoic acid;3-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]-2-methylbenzoic acid is sourced from PubChem (CID 162136295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).