2,6-difluoro-4-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]phenol;3-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]phenol;2-[4-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]phenyl]propan-2-ol

C81H70F5N9O6 — CID 158685485

IUPAC2,6-difluoro-4-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]phenol;3-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]phenol;2-[4-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]phenyl]propan-2-ol
SMILESCC(C)(O)c1ccc(-c2c(C3CCOCC3)n(-c3ccc(F)cc3)c3cc4cn[nH]c4cc23)cc1.Oc1c(F)cc(-c2c(C3CCOCC3)n(-c3ccc(F)cc3)c3cc4cn[nH]c4cc23)cc1F.Oc1cccc(-c2c(C3CCOCC3)n(-c3ccc(F)cc3)c3cc4cn[nH]c4cc23)c1
InChIInChI=1S/C29H28FN3O2.C26H20F3N3O2.C26H22FN3O2/c1-29(2,34)21-5-3-18(4-6-21)27-24-16-25-20(17-31-32-25)15-26(24)33(23-9-7-22(30)8-10-23)28(27)19-11-13-35-14-12-19;27-17-1-3-18(4-2-17)32-23-11-16-13-30-31-22(16)12-19(23)24(25(32)14-5-7-34-8-6-14)15-9-20(28)26(33)21(29)10-15;27-19-4-6-20(7-5-19)30-24-13-18-15-28-29-23(18)14-22(24)25(17-2-1-3-21(31)12-17)26(30)16-8-10-32-11-9-16/h3-10,15-17,19,34H,11-14H2,1-2H3,(H,31,32);1-4,9-14,33H,5-8H2,(H,30,31);1-7,12-16,31H,8-11H2,(H,28,29)
InChIKeyIFRIFZAIMLADNJ-UHFFFAOYSA-N
MW1360.50 g/mol
LogP18.54
Rot. Bonds10

About 2,6-difluoro-4-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]phenol;3-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]phenol;2-[4-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]phenyl]propan-2-ol

2,6-difluoro-4-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]phenol;3-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]phenol;2-[4-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]phenyl]propan-2-ol (PubChem CID 158685485) has the molecular formula C81H70F5N9O6 and a molecular weight of 1360.50 g/mol. Its IUPAC name is 2,6-difluoro-4-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]phenol;3-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]phenol;2-[4-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]phenyl]propan-2-ol.

Molecular Properties

Compound Name2,6-difluoro-4-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]phenol;3-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]phenol;2-[4-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]phenyl]propan-2-ol
PubChem CID158685485
Molecular FormulaC81H70F5N9O6
Molecular Weight1360.50 g/mol
Exact Mass1359.54
IUPAC Name2,6-difluoro-4-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]phenol;3-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]phenol;2-[4-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]phenyl]propan-2-ol
SMILESCC(C)(O)c1ccc(-c2c(C3CCOCC3)n(-c3ccc(F)cc3)c3cc4cn[nH]c4cc23)cc1.Oc1c(F)cc(-c2c(C3CCOCC3)n(-c3ccc(F)cc3)c3cc4cn[nH]c4cc23)cc1F.Oc1cccc(-c2c(C3CCOCC3)n(-c3ccc(F)cc3)c3cc4cn[nH]c4cc23)c1
InChIInChI=1S/C29H28FN3O2.C26H20F3N3O2.C26H22FN3O2/c1-29(2,34)21-5-3-18(4-6-21)27-24-16-25-20(17-31-32-25)15-26(24)33(23-9-7-22(30)8-10-23)28(27)19-11-13-35-14-12-19;27-17-1-3-18(4-2-17)32-23-11-16-13-30-31-22(16)12-19(23)24(25(32)14-5-7-34-8-6-14)15-9-20(28)26(33)21(29)10-15;27-19-4-6-20(7-5-19)30-24-13-18-15-28-29-23(18)14-22(24)25(17-2-1-3-21(31)12-17)26(30)16-8-10-32-11-9-16/h3-10,15-17,19,34H,11-14H2,1-2H3,(H,31,32);1-4,9-14,33H,5-8H2,(H,30,31);1-7,12-16,31H,8-11H2,(H,28,29)
InChIKeyIFRIFZAIMLADNJ-UHFFFAOYSA-N
XLogP18.54
TPSA189.21 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms101
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001360.50
LogP ≤ 518.54
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Analyze 2,6-difluoro-4-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]phenol;3-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]phenol;2-[4-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]phenyl]propan-2-ol with MolForge

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Related Compounds

4-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]phenol
CID 155317912
2,6-difluoro-4-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]phenol
CID 155317913
7-(4-fluoro-3-methoxyphenyl)-5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole
CID 155318004
4-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-2-(trifluoromethyl)phenol
CID 155318026
3-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]phenol
CID 155318052
5-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-2-methylphenol
CID 155734877
5-(4-fluorophenyl)-6-(oxan-4-yl)-7-pyridin-4-yl-1H-pyrrolo[2,3-f]indazole;bis(2,2,2-trifluoro-1-[4-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]phenyl]ethanol)
CID 157284363
1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;bis(4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-3-(trifluoromethyl)phenol);7-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-[9-(trifluoromethyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl]phenol
CID 158021474
2,5-difluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;bis(7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine);4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-2-(trifluoromethyl)phenol
CID 159476400
4-[2-(9-ethylcarbazol-3-yl)pyrazol-3-yl]phenol;9-ethyl-3-fluoro-6-(5-phenylpyrazol-1-yl)carbazole;9-ethyl-3-[5-[3-methyl-5-(trifluoromethyl)phenyl]pyrazol-1-yl]carbazole;9-ethyl-6-(5-phenylpyrazol-1-yl)carbazol-3-ol;9-methyl-6-(5-phenylpyrazol-1-yl)-1,2,3,4-tetrahydrocarbazole;5-phenyl-1-[7-(trifluoromethyl)-1H-inden-5-yl]pyrazole
CID 160913643
cumene;3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazole;5-fluoro-2-propan-2-ylaniline;5-methyl-2-propan-2-ylaniline;2-propan-2-ylaniline;3-propan-2-ylaniline;4-propan-2-ylaniline;2-propan-2-yl-2H-benzimidazole;3-propan-2-yl-2H-indazole;2-propan-2-yl-2H-indole;3-propan-2-yl-2H-indole;4-propan-2-ylphenol;2-(4-propan-2-ylphenyl)ethanol;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-5-(trifluoromethyl)aniline
CID 161241172
4-[2-(9-Ethylcarbazol-3-yl)pyrazol-3-yl]phenol;4-[2-[4-[2-(9-ethylcarbazol-3-yl)pyrazol-3-yl]phenyl]ethyl]morpholine;9-ethyl-3-[5-(4-fluorophenyl)pyrazol-1-yl]carbazole;9-ethyl-3-fluoro-6-(5-phenylpyrazol-1-yl)carbazole;9-ethyl-3-[5-[3-methyl-5-(trifluoromethyl)phenyl]pyrazol-1-yl]carbazole
CID 161428045

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]phenol;3-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]phenol;2-[4-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]phenyl]propan-2-ol?
The IUPAC name of 2,6-difluoro-4-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]phenol;3-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]phenol;2-[4-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]phenyl]propan-2-ol (CID 158685485) is 2,6-difluoro-4-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]phenol;3-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]phenol;2-[4-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]phenyl]propan-2-ol.
What is the SMILES notation for 2,6-difluoro-4-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]phenol;3-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]phenol;2-[4-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]phenyl]propan-2-ol?
The canonical SMILES for 2,6-difluoro-4-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]phenol;3-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]phenol;2-[4-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]phenyl]propan-2-ol is CC(C)(O)c1ccc(-c2c(C3CCOCC3)n(-c3ccc(F)cc3)c3cc4cn[nH]c4cc23)cc1.Oc1c(F)cc(-c2c(C3CCOCC3)n(-c3ccc(F)cc3)c3cc4cn[nH]c4cc23)cc1F.Oc1cccc(-c2c(C3CCOCC3)n(-c3ccc(F)cc3)c3cc4cn[nH]c4cc23)c1.
What is the InChIKey of 2,6-difluoro-4-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]phenol;3-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]phenol;2-[4-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]phenyl]propan-2-ol?
The InChIKey is IFRIFZAIMLADNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28FN3O2.C26H20F3N3O2.C26H22FN3O2/c1-29(2,34)21-5-3-18(4-6-21)27-24-16-25-20(17-31-32-25)15-26(24)33(23-9-7-22(30)8-10-23)28(27)19-11-13-35-14-12-19;27-17-1-3-18(4-2-17)32-23-11-16-13-30-31-22(16)12-19(23)24(25(32)14-5-7-34-8-6-14)15-9-20(28)26(33)21(29)10-15;27-19-4-6-20(7-5-19)30-24-13-18-15-28-29-23(18)14-22(24)25(17-2-1-3-21(31)12-17)26(30)16-8-10-32-11-9-16/h3-10,15-17,19,34H,11-14H2,1-2H3,(H,31,32);1-4,9-14,33H,5-8H2,(H,30,31);1-7,12-16,31H,8-11H2,(H,28,29).
What are the key properties of 2,6-difluoro-4-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]phenol;3-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]phenol;2-[4-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]phenyl]propan-2-ol?
2,6-difluoro-4-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]phenol;3-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]phenol;2-[4-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]phenyl]propan-2-ol has a molecular weight of 1360.50 g/mol, XLogP of 18.54, 10 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]phenol;3-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]phenol;2-[4-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]phenyl]propan-2-ol is sourced from PubChem (CID 158685485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).