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

C74H56F6N10O6 — CID 159381426

IUPAC2,6-difluoro-4-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]benzoic acid;2-fluoro-4-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]benzoic acid;5-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]pyridine-2-carboxylic acid
SMILESCC(C)c1c(-c2cc(F)c(C(=O)O)c(F)c2)c2cc3[nH]ncc3cc2n1-c1ccc(F)cc1.CC(C)c1c(-c2ccc(C(=O)O)c(F)c2)c2cc3[nH]ncc3cc2n1-c1ccc(F)cc1.CC(C)c1c(-c2ccc(C(=O)O)nc2)c2cc3[nH]ncc3cc2n1-c1ccc(F)cc1
InChIInChI=1S/C25H18F3N3O2.C25H19F2N3O2.C24H19FN4O2/c1-12(2)24-22(13-7-18(27)23(25(32)33)19(28)8-13)17-10-20-14(11-29-30-20)9-21(17)31(24)16-5-3-15(26)4-6-16;1-13(2)24-23(14-3-8-18(25(31)32)20(27)9-14)19-11-21-15(12-28-29-21)10-22(19)30(24)17-6-4-16(26)5-7-17;1-13(2)23-22(14-3-8-19(24(30)31)26-11-14)18-10-20-15(12-27-28-20)9-21(18)29(23)17-6-4-16(25)5-7-17/h3-12H,1-2H3,(H,29,30)(H,32,33);3-13H,1-2H3,(H,28,29)(H,31,32);3-13H,1-2H3,(H,27,28)(H,30,31)
InChIKeyLKYNVYWOYKDVRS-UHFFFAOYSA-N
MW1295.31 g/mol
LogP18.22
Rot. Bonds12

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

2,6-difluoro-4-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]benzoic acid;2-fluoro-4-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]benzoic acid;5-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]pyridine-2-carboxylic acid (PubChem CID 159381426) has the molecular formula C74H56F6N10O6 and a molecular weight of 1295.31 g/mol. Its IUPAC name is 2,6-difluoro-4-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]benzoic acid;2-fluoro-4-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]benzoic acid;5-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name2,6-difluoro-4-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]benzoic acid;2-fluoro-4-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]benzoic acid;5-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]pyridine-2-carboxylic acid
PubChem CID159381426
Molecular FormulaC74H56F6N10O6
Molecular Weight1295.31 g/mol
Exact Mass1294.43
IUPAC Name2,6-difluoro-4-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]benzoic acid;2-fluoro-4-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]benzoic acid;5-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]pyridine-2-carboxylic acid
SMILESCC(C)c1c(-c2cc(F)c(C(=O)O)c(F)c2)c2cc3[nH]ncc3cc2n1-c1ccc(F)cc1.CC(C)c1c(-c2ccc(C(=O)O)c(F)c2)c2cc3[nH]ncc3cc2n1-c1ccc(F)cc1.CC(C)c1c(-c2ccc(C(=O)O)nc2)c2cc3[nH]ncc3cc2n1-c1ccc(F)cc1
InChIInChI=1S/C25H18F3N3O2.C25H19F2N3O2.C24H19FN4O2/c1-12(2)24-22(13-7-18(27)23(25(32)33)19(28)8-13)17-10-20-14(11-29-30-20)9-21(17)31(24)16-5-3-15(26)4-6-16;1-13(2)24-23(14-3-8-18(25(31)32)20(27)9-14)19-11-21-15(12-28-29-21)10-22(19)30(24)17-6-4-16(26)5-7-17;1-13(2)23-22(14-3-8-19(24(30)31)26-11-14)18-10-20-15(12-27-28-20)9-21(18)29(23)17-6-4-16(25)5-7-17/h3-12H,1-2H3,(H,29,30)(H,32,33);3-13H,1-2H3,(H,28,29)(H,31,32);3-13H,1-2H3,(H,27,28)(H,30,31)
InChIKeyLKYNVYWOYKDVRS-UHFFFAOYSA-N
XLogP18.22
TPSA225.62 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001295.31
LogP ≤ 518.22
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Analyze 2,6-difluoro-4-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]benzoic acid;2-fluoro-4-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]benzoic acid;5-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]pyridine-2-carboxylic acid with MolForge

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Related Compounds

5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-3-[2-(1H-pyrazol-5-yl)-1H-indol-4-yl]-1H-pyrrole-2-carboxylic acid
CID 146350270
5-(6-fluoro-1H-indol-4-yl)-3-(1H-indazol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid
CID 146350424
3-fluoro-5-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]benzoic acid
CID 155285003
4-[5-(4-fluorophenyl)-6-(2-hydroxypropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]benzoic acid
CID 155285027
4-[8-fluoro-5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]benzoic acid
CID 155285072
4-[5-(3,4-difluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]benzoic acid
CID 155285077
4-[5-(2-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]benzoic acid
CID 155285092
2-fluoro-4-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]benzoic acid
CID 155285117
4-[5-(4-fluorophenyl)-1H-pyrrolo[2,3-f]indazol-7-yl]benzoic acid
CID 155285130
4-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]benzoic acid
CID 155285131
4-[5-(4-fluorophenyl)-6-(trifluoromethyl)-1H-pyrrolo[2,3-f]indazol-7-yl]benzoic acid
CID 155285143
A1AT modulator 2
CID 155285167

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]benzoic acid;2-fluoro-4-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]benzoic acid;5-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]pyridine-2-carboxylic acid?
The IUPAC name of 2,6-difluoro-4-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]benzoic acid;2-fluoro-4-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]benzoic acid;5-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]pyridine-2-carboxylic acid (CID 159381426) is 2,6-difluoro-4-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]benzoic acid;2-fluoro-4-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]benzoic acid;5-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 2,6-difluoro-4-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]benzoic acid;2-fluoro-4-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]benzoic acid;5-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 2,6-difluoro-4-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]benzoic acid;2-fluoro-4-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]benzoic acid;5-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]pyridine-2-carboxylic acid is CC(C)c1c(-c2cc(F)c(C(=O)O)c(F)c2)c2cc3[nH]ncc3cc2n1-c1ccc(F)cc1.CC(C)c1c(-c2ccc(C(=O)O)c(F)c2)c2cc3[nH]ncc3cc2n1-c1ccc(F)cc1.CC(C)c1c(-c2ccc(C(=O)O)nc2)c2cc3[nH]ncc3cc2n1-c1ccc(F)cc1.
What is the InChIKey of 2,6-difluoro-4-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]benzoic acid;2-fluoro-4-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]benzoic acid;5-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]pyridine-2-carboxylic acid?
The InChIKey is LKYNVYWOYKDVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F3N3O2.C25H19F2N3O2.C24H19FN4O2/c1-12(2)24-22(13-7-18(27)23(25(32)33)19(28)8-13)17-10-20-14(11-29-30-20)9-21(17)31(24)16-5-3-15(26)4-6-16;1-13(2)24-23(14-3-8-18(25(31)32)20(27)9-14)19-11-21-15(12-28-29-21)10-22(19)30(24)17-6-4-16(26)5-7-17;1-13(2)23-22(14-3-8-19(24(30)31)26-11-14)18-10-20-15(12-27-28-20)9-21(18)29(23)17-6-4-16(25)5-7-17/h3-12H,1-2H3,(H,29,30)(H,32,33);3-13H,1-2H3,(H,28,29)(H,31,32);3-13H,1-2H3,(H,27,28)(H,30,31).
What are the key properties of 2,6-difluoro-4-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]benzoic acid;2-fluoro-4-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]benzoic acid;5-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]pyridine-2-carboxylic acid?
2,6-difluoro-4-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]benzoic acid;2-fluoro-4-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]benzoic acid;5-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]pyridine-2-carboxylic acid has a molecular weight of 1295.31 g/mol, XLogP of 18.22, 12 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]benzoic acid;2-fluoro-4-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]benzoic acid;5-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 159381426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).