7-(4-fluoro-3-methoxyphenyl)-5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;5-(4-fluorophenyl)-7-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;4-[5-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-2-pyridinyl]morpholine

C86H82F4N14O5 — CID 159160321

IUPAC7-(4-fluoro-3-methoxyphenyl)-5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;5-(4-fluorophenyl)-7-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;4-[5-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-2-pyridinyl]morpholine
SMILESCN1CCN(c2ccc(-c3c(C4CCOCC4)n(-c4ccc(F)cc4)c4cc5cn[nH]c5cc34)cn2)CC1.COc1cc(-c2c(C3CCOCC3)n(-c3ccc(F)cc3)c3cc4cn[nH]c4cc23)ccc1F.Fc1ccc(-n2c(C3CCOCC3)c(-c3ccc(N4CCOCC4)nc3)c3cc4[nH]ncc4cc32)cc1
InChIInChI=1S/C30H31FN6O.C29H28FN5O2.C27H23F2N3O2/c1-35-10-12-36(13-11-35)28-7-2-21(18-32-28)29-25-17-26-22(19-33-34-26)16-27(25)37(24-5-3-23(31)4-6-24)30(29)20-8-14-38-15-9-20;30-22-2-4-23(5-3-22)35-26-15-21-18-32-33-25(21)16-24(26)28(29(35)19-7-11-36-12-8-19)20-1-6-27(31-17-20)34-9-13-37-14-10-34;1-33-25-13-17(2-7-22(25)29)26-21-14-23-18(15-30-31-23)12-24(21)32(20-5-3-19(28)4-6-20)27(26)16-8-10-34-11-9-16/h2-7,16-20H,8-15H2,1H3,(H,33,34);1-6,15-19H,7-14H2,(H,32,33);2-7,12-16H,8-11H2,1H3,(H,30,31)
InChIKeyKKKDZIPFJPBZIN-UHFFFAOYSA-N
MW1467.69 g/mol
LogP17.15
Rot. Bonds12

About 7-(4-fluoro-3-methoxyphenyl)-5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;5-(4-fluorophenyl)-7-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;4-[5-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-2-pyridinyl]morpholine

7-(4-fluoro-3-methoxyphenyl)-5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;5-(4-fluorophenyl)-7-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;4-[5-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-2-pyridinyl]morpholine (PubChem CID 159160321) has the molecular formula C86H82F4N14O5 and a molecular weight of 1467.69 g/mol. Its IUPAC name is 7-(4-fluoro-3-methoxyphenyl)-5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;5-(4-fluorophenyl)-7-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;4-[5-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-2-pyridinyl]morpholine.

Molecular Properties

Compound Name7-(4-fluoro-3-methoxyphenyl)-5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;5-(4-fluorophenyl)-7-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;4-[5-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-2-pyridinyl]morpholine
PubChem CID159160321
Molecular FormulaC86H82F4N14O5
Molecular Weight1467.69 g/mol
Exact Mass1466.65
IUPAC Name7-(4-fluoro-3-methoxyphenyl)-5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;5-(4-fluorophenyl)-7-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;4-[5-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-2-pyridinyl]morpholine
SMILESCN1CCN(c2ccc(-c3c(C4CCOCC4)n(-c4ccc(F)cc4)c4cc5cn[nH]c5cc34)cn2)CC1.COc1cc(-c2c(C3CCOCC3)n(-c3ccc(F)cc3)c3cc4cn[nH]c4cc23)ccc1F.Fc1ccc(-n2c(C3CCOCC3)c(-c3ccc(N4CCOCC4)nc3)c3cc4[nH]ncc4cc32)cc1
InChIInChI=1S/C30H31FN6O.C29H28FN5O2.C27H23F2N3O2/c1-35-10-12-36(13-11-35)28-7-2-21(18-32-28)29-25-17-26-22(19-33-34-26)16-27(25)37(24-5-3-23(31)4-6-24)30(29)20-8-14-38-15-9-20;30-22-2-4-23(5-3-22)35-26-15-21-18-32-33-25(21)16-24(26)28(29(35)19-7-11-36-12-8-19)20-1-6-27(31-17-20)34-9-13-37-14-10-34;1-33-25-13-17(2-7-22(25)29)26-21-14-23-18(15-30-31-23)12-24(21)32(20-5-3-19(28)4-6-20)27(26)16-8-10-34-11-9-16/h2-7,16-20H,8-15H2,1H3,(H,33,34);1-6,15-19H,7-14H2,(H,32,33);2-7,12-16H,8-11H2,1H3,(H,30,31)
InChIKeyKKKDZIPFJPBZIN-UHFFFAOYSA-N
XLogP17.15
TPSA182.48 Ų
H-Bond Donors3
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms109
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001467.69
LogP ≤ 517.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1016

Analyze 7-(4-fluoro-3-methoxyphenyl)-5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;5-(4-fluorophenyl)-7-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;4-[5-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-2-pyridinyl]morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(4-fluoro-3-methoxyphenyl)-5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;5-(4-fluorophenyl)-7-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;4-[5-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-2-pyridinyl]morpholine?
The IUPAC name of 7-(4-fluoro-3-methoxyphenyl)-5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;5-(4-fluorophenyl)-7-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;4-[5-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-2-pyridinyl]morpholine (CID 159160321) is 7-(4-fluoro-3-methoxyphenyl)-5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;5-(4-fluorophenyl)-7-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;4-[5-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-2-pyridinyl]morpholine.
What is the SMILES notation for 7-(4-fluoro-3-methoxyphenyl)-5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;5-(4-fluorophenyl)-7-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;4-[5-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-2-pyridinyl]morpholine?
The canonical SMILES for 7-(4-fluoro-3-methoxyphenyl)-5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;5-(4-fluorophenyl)-7-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;4-[5-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-2-pyridinyl]morpholine is CN1CCN(c2ccc(-c3c(C4CCOCC4)n(-c4ccc(F)cc4)c4cc5cn[nH]c5cc34)cn2)CC1.COc1cc(-c2c(C3CCOCC3)n(-c3ccc(F)cc3)c3cc4cn[nH]c4cc23)ccc1F.Fc1ccc(-n2c(C3CCOCC3)c(-c3ccc(N4CCOCC4)nc3)c3cc4[nH]ncc4cc32)cc1.
What is the InChIKey of 7-(4-fluoro-3-methoxyphenyl)-5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;5-(4-fluorophenyl)-7-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;4-[5-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-2-pyridinyl]morpholine?
The InChIKey is KKKDZIPFJPBZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31FN6O.C29H28FN5O2.C27H23F2N3O2/c1-35-10-12-36(13-11-35)28-7-2-21(18-32-28)29-25-17-26-22(19-33-34-26)16-27(25)37(24-5-3-23(31)4-6-24)30(29)20-8-14-38-15-9-20;30-22-2-4-23(5-3-22)35-26-15-21-18-32-33-25(21)16-24(26)28(29(35)19-7-11-36-12-8-19)20-1-6-27(31-17-20)34-9-13-37-14-10-34;1-33-25-13-17(2-7-22(25)29)26-21-14-23-18(15-30-31-23)12-24(21)32(20-5-3-19(28)4-6-20)27(26)16-8-10-34-11-9-16/h2-7,16-20H,8-15H2,1H3,(H,33,34);1-6,15-19H,7-14H2,(H,32,33);2-7,12-16H,8-11H2,1H3,(H,30,31).
What are the key properties of 7-(4-fluoro-3-methoxyphenyl)-5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;5-(4-fluorophenyl)-7-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;4-[5-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-2-pyridinyl]morpholine?
7-(4-fluoro-3-methoxyphenyl)-5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;5-(4-fluorophenyl)-7-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;4-[5-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-2-pyridinyl]morpholine has a molecular weight of 1467.69 g/mol, XLogP of 17.15, 12 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluoro-3-methoxyphenyl)-5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;5-(4-fluorophenyl)-7-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;4-[5-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-2-pyridinyl]morpholine is sourced from PubChem (CID 159160321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).