7-chloro-5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;3-[5-(3,4-difluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid;5-(4-fluorophenyl)-7-methylsulfonyl-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole-7-carbonitrile

C105H93ClF6N16O9S — CID 159944030

IUPAC7-chloro-5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;3-[5-(3,4-difluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid;5-(4-fluorophenyl)-7-methylsulfonyl-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole-7-carbonitrile
SMILESCS(=O)(=O)c1c(C2CCOCC2)n(-c2ccc(F)cc2)c2cc3cn[nH]c3cc12.Fc1ccc(-n2c(C3CCOCC3)c(Cl)c3cc4[nH]ncc4cc32)cc1.Fc1ccc(-n2c(C3CCOCC3)cc3cc4[nH]ncc4cc32)cc1.N#Cc1c(C2CCOCC2)n(-c2ccc(F)cc2)c2cc3cn[nH]c3cc12.O=C(O)CCc1c(C2CCOCC2)n(-c2ccc(F)c(F)c2)c2cc3cn[nH]c3cc12
InChIInChI=1S/C23H21F2N3O3.C21H17FN4O.C21H20FN3O3S.C20H17ClFN3O.C20H18FN3O/c24-18-3-1-15(10-19(18)25)28-21-9-14-12-26-27-20(14)11-17(21)16(2-4-22(29)30)23(28)13-5-7-31-8-6-13;22-15-1-3-16(4-2-15)26-20-9-14-12-24-25-19(14)10-17(20)18(11-23)21(26)13-5-7-27-8-6-13;1-29(26,27)21-17-11-18-14(12-23-24-18)10-19(17)25(16-4-2-15(22)3-5-16)20(21)13-6-8-28-9-7-13;21-19-16-10-17-13(11-23-24-17)9-18(16)25(15-3-1-14(22)2-4-15)20(19)12-5-7-26-8-6-12;21-16-1-3-17(4-2-16)24-19(13-5-7-25-8-6-13)10-14-9-18-15(11-20(14)24)12-22-23-18/h1,3,9-13H,2,4-8H2,(H,26,27)(H,29,30);1-4,9-10,12-13H,5-8H2,(H,24,25);2-5,10-13H,6-9H2,1H3,(H,23,24);1-4,9-12H,5-8H2,(H,23,24);1-4,9-13H,5-8H2,(H,22,23)
InChIKeyOBGISCOXYYKJAI-UHFFFAOYSA-N
MW1904.51 g/mol
LogP22.78
Rot. Bonds14

About 7-chloro-5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;3-[5-(3,4-difluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid;5-(4-fluorophenyl)-7-methylsulfonyl-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole-7-carbonitrile

7-chloro-5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;3-[5-(3,4-difluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid;5-(4-fluorophenyl)-7-methylsulfonyl-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole-7-carbonitrile (PubChem CID 159944030) has the molecular formula C105H93ClF6N16O9S and a molecular weight of 1904.51 g/mol. Its IUPAC name is 7-chloro-5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;3-[5-(3,4-difluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid;5-(4-fluorophenyl)-7-methylsulfonyl-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole-7-carbonitrile.

Molecular Properties

Compound Name7-chloro-5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;3-[5-(3,4-difluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid;5-(4-fluorophenyl)-7-methylsulfonyl-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole-7-carbonitrile
PubChem CID159944030
Molecular FormulaC105H93ClF6N16O9S
Molecular Weight1904.51 g/mol
Exact Mass1902.66
IUPAC Name7-chloro-5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;3-[5-(3,4-difluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid;5-(4-fluorophenyl)-7-methylsulfonyl-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole-7-carbonitrile
SMILESCS(=O)(=O)c1c(C2CCOCC2)n(-c2ccc(F)cc2)c2cc3cn[nH]c3cc12.Fc1ccc(-n2c(C3CCOCC3)c(Cl)c3cc4[nH]ncc4cc32)cc1.Fc1ccc(-n2c(C3CCOCC3)cc3cc4[nH]ncc4cc32)cc1.N#Cc1c(C2CCOCC2)n(-c2ccc(F)cc2)c2cc3cn[nH]c3cc12.O=C(O)CCc1c(C2CCOCC2)n(-c2ccc(F)c(F)c2)c2cc3cn[nH]c3cc12
InChIInChI=1S/C23H21F2N3O3.C21H17FN4O.C21H20FN3O3S.C20H17ClFN3O.C20H18FN3O/c24-18-3-1-15(10-19(18)25)28-21-9-14-12-26-27-20(14)11-17(21)16(2-4-22(29)30)23(28)13-5-7-31-8-6-13;22-15-1-3-16(4-2-15)26-20-9-14-12-24-25-19(14)10-17(20)18(11-23)21(26)13-5-7-27-8-6-13;1-29(26,27)21-17-11-18-14(12-23-24-18)10-19(17)25(16-4-2-15(22)3-5-16)20(21)13-6-8-28-9-7-13;21-19-16-10-17-13(11-23-24-17)9-18(16)25(15-3-1-14(22)2-4-15)20(19)12-5-7-26-8-6-12;21-16-1-3-17(4-2-16)24-19(13-5-7-25-8-6-13)10-14-9-18-15(11-20(14)24)12-22-23-18/h1,3,9-13H,2,4-8H2,(H,26,27)(H,29,30);1-4,9-10,12-13H,5-8H2,(H,24,25);2-5,10-13H,6-9H2,1H3,(H,23,24);1-4,9-12H,5-8H2,(H,23,24);1-4,9-13H,5-8H2,(H,22,23)
InChIKeyOBGISCOXYYKJAI-UHFFFAOYSA-N
XLogP22.78
TPSA309.43 Ų
H-Bond Donors6
H-Bond Acceptors19
Rotatable Bonds14
Heavy Atoms138
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001904.51
LogP ≤ 522.78
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1019

Analyze 7-chloro-5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;3-[5-(3,4-difluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid;5-(4-fluorophenyl)-7-methylsulfonyl-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole-7-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;3-[5-(3,4-difluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid;5-(4-fluorophenyl)-7-methylsulfonyl-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole-7-carbonitrile?
The IUPAC name of 7-chloro-5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;3-[5-(3,4-difluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid;5-(4-fluorophenyl)-7-methylsulfonyl-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole-7-carbonitrile (CID 159944030) is 7-chloro-5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;3-[5-(3,4-difluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid;5-(4-fluorophenyl)-7-methylsulfonyl-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole-7-carbonitrile.
What is the SMILES notation for 7-chloro-5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;3-[5-(3,4-difluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid;5-(4-fluorophenyl)-7-methylsulfonyl-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole-7-carbonitrile?
The canonical SMILES for 7-chloro-5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;3-[5-(3,4-difluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid;5-(4-fluorophenyl)-7-methylsulfonyl-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole-7-carbonitrile is CS(=O)(=O)c1c(C2CCOCC2)n(-c2ccc(F)cc2)c2cc3cn[nH]c3cc12.Fc1ccc(-n2c(C3CCOCC3)c(Cl)c3cc4[nH]ncc4cc32)cc1.Fc1ccc(-n2c(C3CCOCC3)cc3cc4[nH]ncc4cc32)cc1.N#Cc1c(C2CCOCC2)n(-c2ccc(F)cc2)c2cc3cn[nH]c3cc12.O=C(O)CCc1c(C2CCOCC2)n(-c2ccc(F)c(F)c2)c2cc3cn[nH]c3cc12.
What is the InChIKey of 7-chloro-5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;3-[5-(3,4-difluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid;5-(4-fluorophenyl)-7-methylsulfonyl-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole-7-carbonitrile?
The InChIKey is OBGISCOXYYKJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N3O3.C21H17FN4O.C21H20FN3O3S.C20H17ClFN3O.C20H18FN3O/c24-18-3-1-15(10-19(18)25)28-21-9-14-12-26-27-20(14)11-17(21)16(2-4-22(29)30)23(28)13-5-7-31-8-6-13;22-15-1-3-16(4-2-15)26-20-9-14-12-24-25-19(14)10-17(20)18(11-23)21(26)13-5-7-27-8-6-13;1-29(26,27)21-17-11-18-14(12-23-24-18)10-19(17)25(16-4-2-15(22)3-5-16)20(21)13-6-8-28-9-7-13;21-19-16-10-17-13(11-23-24-17)9-18(16)25(15-3-1-14(22)2-4-15)20(19)12-5-7-26-8-6-12;21-16-1-3-17(4-2-16)24-19(13-5-7-25-8-6-13)10-14-9-18-15(11-20(14)24)12-22-23-18/h1,3,9-13H,2,4-8H2,(H,26,27)(H,29,30);1-4,9-10,12-13H,5-8H2,(H,24,25);2-5,10-13H,6-9H2,1H3,(H,23,24);1-4,9-12H,5-8H2,(H,23,24);1-4,9-13H,5-8H2,(H,22,23).
What are the key properties of 7-chloro-5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;3-[5-(3,4-difluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid;5-(4-fluorophenyl)-7-methylsulfonyl-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole-7-carbonitrile?
7-chloro-5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;3-[5-(3,4-difluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid;5-(4-fluorophenyl)-7-methylsulfonyl-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole-7-carbonitrile has a molecular weight of 1904.51 g/mol, XLogP of 22.78, 14 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;3-[5-(3,4-difluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid;5-(4-fluorophenyl)-7-methylsulfonyl-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole-7-carbonitrile is sourced from PubChem (CID 159944030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).