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)

C81H67F9N10O5 — CID 157284363

IUPAC5-(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)
SMILESFc1ccc(-n2c(C3CCOCC3)c(-c3ccncc3)c3cc4[nH]ncc4cc32)cc1.OC(c1ccc(-c2c(C3CCOCC3)n(-c3ccc(F)cc3)c3cc4cn[nH]c4cc23)cc1)C(F)(F)F.OC(c1ccc(-c2c(C3CCOCC3)n(-c3ccc(F)cc3)c3cc4cn[nH]c4cc23)cc1)C(F)(F)F
InChIInChI=1S/2C28H23F4N3O2.C25H21FN4O/c2*29-20-5-7-21(8-6-20)35-24-13-19-15-33-34-23(19)14-22(24)25(26(35)17-9-11-37-12-10-17)16-1-3-18(4-2-16)27(36)28(30,31)32;26-19-1-3-20(4-2-19)30-23-13-18-15-28-29-22(18)14-21(23)24(16-5-9-27-10-6-16)25(30)17-7-11-31-12-8-17/h2*1-8,13-15,17,27,36H,9-12H2,(H,33,34);1-6,9-10,13-15,17H,7-8,11-12H2,(H,28,29)
InChIKeyBAAWAUYCQXUHPB-UHFFFAOYSA-N
MW1431.47 g/mol
LogP19.21
Rot. Bonds11

About 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)

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) (PubChem CID 157284363) has the molecular formula C81H67F9N10O5 and a molecular weight of 1431.47 g/mol. Its IUPAC name is 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).

Molecular Properties

Compound Name5-(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)
PubChem CID157284363
Molecular FormulaC81H67F9N10O5
Molecular Weight1431.47 g/mol
Exact Mass1430.52
IUPAC Name5-(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)
SMILESFc1ccc(-n2c(C3CCOCC3)c(-c3ccncc3)c3cc4[nH]ncc4cc32)cc1.OC(c1ccc(-c2c(C3CCOCC3)n(-c3ccc(F)cc3)c3cc4cn[nH]c4cc23)cc1)C(F)(F)F.OC(c1ccc(-c2c(C3CCOCC3)n(-c3ccc(F)cc3)c3cc4cn[nH]c4cc23)cc1)C(F)(F)F
InChIInChI=1S/2C28H23F4N3O2.C25H21FN4O/c2*29-20-5-7-21(8-6-20)35-24-13-19-15-33-34-23(19)14-22(24)25(26(35)17-9-11-37-12-10-17)16-1-3-18(4-2-16)27(36)28(30,31)32;26-19-1-3-20(4-2-19)30-23-13-18-15-28-29-22(18)14-21(23)24(16-5-9-27-10-6-16)25(30)17-7-11-31-12-8-17/h2*1-8,13-15,17,27,36H,9-12H2,(H,33,34);1-6,9-10,13-15,17H,7-8,11-12H2,(H,28,29)
InChIKeyBAAWAUYCQXUHPB-UHFFFAOYSA-N
XLogP19.21
TPSA181.87 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms105
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001431.47
LogP ≤ 519.21
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

Analyze 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) with MolForge

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Related Compounds

2,2,2-trifluoro-1-[4-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]phenyl]ethanol
CID 155285182
[4-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]phenyl]methanol
CID 155318192
[5-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-2-pyridinyl]methanol
CID 155318292
2-[4-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]phenyl]propan-2-ol
CID 155318322
5-(4-fluorophenyl)-6-(oxan-4-yl)-7-[6-(3,3,3-trifluoropropyl)-3-pyridinyl]-1H-pyrrolo[2,3-f]indazole
CID 155318466
[2-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]-4-pyridinyl]methanediol
CID 155318522
[4-[5-(4-fluorophenyl)-6-(8-oxabicyclo[3.2.1]octan-3-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]phenyl]methanediol
CID 155383630
2-[3-(1,4-dimethylpyrazol-5-yl)-6-fluoro-5-[(S)-oxan-4-yl(phenyl)methyl]pyrido[3,2-b]indol-7-yl]-1,1,1-trifluoropropan-2-ol
CID 157212442
1-(4-fluorophenyl)-2-(oxan-4-yl)-3-pyridin-4-yl-5H-pyrrolo[3,4-f]indole;bis(2,2,2-trifluoro-1-[4-[1-(4-fluorophenyl)-2-(oxan-4-yl)-5H-pyrrolo[3,4-f]indol-3-yl]phenyl]ethanol)
CID 157617808
2-[3-(3,5-dimethyltriazol-4-yl)-6-fluoro-5-[(S)-oxan-4-yl(phenyl)methyl]pyrido[3,2-b]indol-7-yl]-1,1,1-trifluoropropan-2-ol
CID 158181076
4-[(5-acetamidoindol-1-yl)methyl]benzamide;N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]indol-5-yl]acetamide;N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]indol-5-yl]-2-methoxyacetamide;N-[1-[[4-(5-methyl-1H-pyrazol-3-yl)phenyl]methyl]indol-5-yl]acetamide;N-[1-[[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]indol-5-yl]acetamide;N-[1-[[4-(1,1,1-trifluoropropan-2-yl)phenyl]methyl]indol-5-yl]acetamide
CID 158629485
2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(1H-pyrazol-4-yl)ethanol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]propan-2-ol;1-(2-hydroxy-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-ium-5-yl)-2-pyridin-3-ylpropan-2-ol;1-[6-(hydroxymethyl)-1,2,3,4-tetrahydrocarbazol-9-yl]-2-pyridin-3-ylpropan-2-ol
CID 158835415

Frequently Asked Questions

What is the IUPAC name of 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)?
The IUPAC name of 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) is 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).
What is the SMILES notation for 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)?
The canonical SMILES for 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) is Fc1ccc(-n2c(C3CCOCC3)c(-c3ccncc3)c3cc4[nH]ncc4cc32)cc1.OC(c1ccc(-c2c(C3CCOCC3)n(-c3ccc(F)cc3)c3cc4cn[nH]c4cc23)cc1)C(F)(F)F.OC(c1ccc(-c2c(C3CCOCC3)n(-c3ccc(F)cc3)c3cc4cn[nH]c4cc23)cc1)C(F)(F)F.
What is the InChIKey of 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)?
The InChIKey is BAAWAUYCQXUHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H23F4N3O2.C25H21FN4O/c2*29-20-5-7-21(8-6-20)35-24-13-19-15-33-34-23(19)14-22(24)25(26(35)17-9-11-37-12-10-17)16-1-3-18(4-2-16)27(36)28(30,31)32;26-19-1-3-20(4-2-19)30-23-13-18-15-28-29-22(18)14-21(23)24(16-5-9-27-10-6-16)25(30)17-7-11-31-12-8-17/h2*1-8,13-15,17,27,36H,9-12H2,(H,33,34);1-6,9-10,13-15,17H,7-8,11-12H2,(H,28,29).
What are the key properties of 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)?
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) has a molecular weight of 1431.47 g/mol, XLogP of 19.21, 11 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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) is sourced from PubChem (CID 157284363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).