6-cyclobutyloxy-5-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]pyridine-2-carboxylic acid;4-[5-(4-fluorophenyl)-6-[1-(methoxymethyl)cyclobutyl]-1H-pyrrolo[2,3-f]indazol-7-yl]benzoic acid;5-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-6-methylpyridine-2-carboxylic acid

C85H78F3N11O10 — CID 158604384

About 6-cyclobutyloxy-5-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]pyridine-2-carboxylic acid;4-[5-(4-fluorophenyl)-6-[1-(methoxymethyl)cyclobutyl]-1H-pyrrolo[2,3-f]indazol-7-yl]benzoic acid;5-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-6-methylpyridine-2-carboxylic acid

6-cyclobutyloxy-5-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]pyridine-2-carboxylic acid;4-[5-(4-fluorophenyl)-6-[1-(methoxymethyl)cyclobutyl]-1H-pyrrolo[2,3-f]indazol-7-yl]benzoic acid;5-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-6-methylpyridine-2-carboxylic acid (PubChem CID 158604384) has the molecular formula C85H78F3N11O10 and a molecular weight of 1470.62 g/mol. Its IUPAC name is 6-cyclobutyloxy-5-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]pyridine-2-carboxylic acid;4-[5-(4-fluorophenyl)-6-[1-(methoxymethyl)cyclobutyl]-1H-pyrrolo[2,3-f]indazol-7-yl]benzoic acid;5-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-6-methylpyridine-2-carboxylic acid.

Molecular Properties

• Compound Name: 6-cyclobutyloxy-5-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]pyridine-2-carboxylic acid;4-[5-(4-fluorophenyl)-6-[1-(methoxymethyl)cyclobutyl]-1H-pyrrolo[2,3-f]indazol-7-yl]benzoic acid;5-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-6-methylpyridine-2-carboxylic acid
• PubChem CID: 158604384
• Molecular Formula: C85H78F3N11O10
• Molecular Weight: 1470.62 g/mol
• Exact Mass: 1469.59
• IUPAC Name: 6-cyclobutyloxy-5-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]pyridine-2-carboxylic acid;4-[5-(4-fluorophenyl)-6-[1-(methoxymethyl)cyclobutyl]-1H-pyrrolo[2,3-f]indazol-7-yl]benzoic acid;5-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-6-methylpyridine-2-carboxylic acid
• SMILES: COCC(C)(C)c1c(-c2ccc(C(=O)O)nc2C)c2cc3[nH]ncc3cc2n1-c1ccc(F)cc1.COCC(C)(C)c1c(-c2ccc(C(=O)O)nc2OC2CCC2)c2cc3[nH]ncc3cc2n1-c1ccc(F)cc1.COCC1(c2c(-c3ccc(C(=O)O)cc3)c3cc4[nH]ncc4cc3n2-c2ccc(F)cc2)CCC1
• InChI: InChI=1S/C30H29FN4O4.C28H24FN3O3.C27H25FN4O3/c1-30(2,16-38-3)27-26(21-11-12-23(29(36)37)33-28(21)39-20-5-4-6-20)22-14-24-17(15-32-34-24)13-25(22)35(27)19-9-7-18(31)8-10-19;1-35-16-28(11-2-12-28)26-25(17-3-5-18(6-4-17)27(33)34)22-14-23-19(15-30-31-23)13-24(22)32(26)21-9-7-20(29)8-10-21;1-15-19(9-10-21(30-15)26(33)34)24-20-12-22-16(13-29-31-22)11-23(20)32(18-7-5-17(28)6-8-18)25(24)27(2,3)14-35-4/h7-15,20H,4-6,16H2,1-3H3,(H,32,34)(H,36,37);3-10,13-15H,2,11-12,16H2,1H3,(H,30,31)(H,33,34);5-13H,14H2,1-4H3,(H,29,31)(H,33,34)
• InChIKey: HWANURHZNULUHC-UHFFFAOYSA-N
• XLogP: 17.98
• TPSA: 275.43 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 15
• Rotatable Bonds: 20
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1470.62
LogP ≤ 5	17.98
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 6-cyclobutyloxy-5-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]pyridine-2-carboxylic acid;4-[5-(4-fluorophenyl)-6-[1-(methoxymethyl)cyclobutyl]-1H-pyrrolo[2,3-f]indazol-7-yl]benzoic acid;5-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-6-methylpyridine-2-carboxylic acid?

The IUPAC name of 6-cyclobutyloxy-5-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]pyridine-2-carboxylic acid;4-[5-(4-fluorophenyl)-6-[1-(methoxymethyl)cyclobutyl]-1H-pyrrolo[2,3-f]indazol-7-yl]benzoic acid;5-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-6-methylpyridine-2-carboxylic acid (CID 158604384) is 6-cyclobutyloxy-5-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]pyridine-2-carboxylic acid;4-[5-(4-fluorophenyl)-6-[1-(methoxymethyl)cyclobutyl]-1H-pyrrolo[2,3-f]indazol-7-yl]benzoic acid;5-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-6-methylpyridine-2-carboxylic acid.

What is the SMILES notation for 6-cyclobutyloxy-5-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]pyridine-2-carboxylic acid;4-[5-(4-fluorophenyl)-6-[1-(methoxymethyl)cyclobutyl]-1H-pyrrolo[2,3-f]indazol-7-yl]benzoic acid;5-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-6-methylpyridine-2-carboxylic acid?

The canonical SMILES for 6-cyclobutyloxy-5-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]pyridine-2-carboxylic acid;4-[5-(4-fluorophenyl)-6-[1-(methoxymethyl)cyclobutyl]-1H-pyrrolo[2,3-f]indazol-7-yl]benzoic acid;5-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-6-methylpyridine-2-carboxylic acid is COCC(C)(C)c1c(-c2ccc(C(=O)O)nc2C)c2cc3[nH]ncc3cc2n1-c1ccc(F)cc1.COCC(C)(C)c1c(-c2ccc(C(=O)O)nc2OC2CCC2)c2cc3[nH]ncc3cc2n1-c1ccc(F)cc1.COCC1(c2c(-c3ccc(C(=O)O)cc3)c3cc4[nH]ncc4cc3n2-c2ccc(F)cc2)CCC1.

What is the InChIKey of 6-cyclobutyloxy-5-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]pyridine-2-carboxylic acid;4-[5-(4-fluorophenyl)-6-[1-(methoxymethyl)cyclobutyl]-1H-pyrrolo[2,3-f]indazol-7-yl]benzoic acid;5-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-6-methylpyridine-2-carboxylic acid?

The InChIKey is HWANURHZNULUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29FN4O4.C28H24FN3O3.C27H25FN4O3/c1-30(2,16-38-3)27-26(21-11-12-23(29(36)37)33-28(21)39-20-5-4-6-20)22-14-24-17(15-32-34-24)13-25(22)35(27)19-9-7-18(31)8-10-19;1-35-16-28(11-2-12-28)26-25(17-3-5-18(6-4-17)27(33)34)22-14-23-19(15-30-31-23)13-24(22)32(26)21-9-7-20(29)8-10-21;1-15-19(9-10-21(30-15)26(33)34)24-20-12-22-16(13-29-31-22)11-23(20)32(18-7-5-17(28)6-8-18)25(24)27(2,3)14-35-4/h7-15,20H,4-6,16H2,1-3H3,(H,32,34)(H,36,37);3-10,13-15H,2,11-12,16H2,1H3,(H,30,31)(H,33,34);5-13H,14H2,1-4H3,(H,29,31)(H,33,34).

What are the key properties of 6-cyclobutyloxy-5-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]pyridine-2-carboxylic acid;4-[5-(4-fluorophenyl)-6-[1-(methoxymethyl)cyclobutyl]-1H-pyrrolo[2,3-f]indazol-7-yl]benzoic acid;5-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-6-methylpyridine-2-carboxylic acid?

6-cyclobutyloxy-5-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]pyridine-2-carboxylic acid;4-[5-(4-fluorophenyl)-6-[1-(methoxymethyl)cyclobutyl]-1H-pyrrolo[2,3-f]indazol-7-yl]benzoic acid;5-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-6-methylpyridine-2-carboxylic acid has a molecular weight of 1470.62 g/mol, XLogP of 17.98, 20 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 6-cyclobutyloxy-5-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]pyridine-2-carboxylic acid;4-[5-(4-fluorophenyl)-6-[1-(methoxymethyl)cyclobutyl]-1H-pyrrolo[2,3-f]indazol-7-yl]benzoic acid;5-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-6-methylpyridine-2-carboxylic acid is sourced from PubChem (CID 158604384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).