tert-butyl N-[2-[3-fluoro-4-[[1-fluoro-7-(2-methylphenyl)-3-phenylpyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]-N-(3-fluoropropyl)carbamate;tert-butyl N-[2-[3-fluoro-4-[[1-fluoro-7-(2-methylphenyl)-2H-pyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]-N-(3-fluoropropyl)carbamate;1-fluoro-7-(2-methylphenyl)-3-phenyl-2H-pyrrolo[3,2-e]indazole;bis(sulfur dioxide)

C94H90F7N11O8S2 — CID 167629067

About tert-butyl N-[2-[3-fluoro-4-[[1-fluoro-7-(2-methylphenyl)-3-phenylpyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]-N-(3-fluoropropyl)carbamate;tert-butyl N-[2-[3-fluoro-4-[[1-fluoro-7-(2-methylphenyl)-2H-pyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]-N-(3-fluoropropyl)carbamate;1-fluoro-7-(2-methylphenyl)-3-phenyl-2H-pyrrolo[3,2-e]indazole;bis(sulfur dioxide)

tert-butyl N-[2-[3-fluoro-4-[[1-fluoro-7-(2-methylphenyl)-3-phenylpyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]-N-(3-fluoropropyl)carbamate;tert-butyl N-[2-[3-fluoro-4-[[1-fluoro-7-(2-methylphenyl)-2H-pyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]-N-(3-fluoropropyl)carbamate;1-fluoro-7-(2-methylphenyl)-3-phenyl-2H-pyrrolo[3,2-e]indazole;bis(sulfur dioxide) (PubChem CID 167629067) has the molecular formula C94H90F7N11O8S2 and a molecular weight of 1698.94 g/mol. Its IUPAC name is tert-butyl N-[2-[3-fluoro-4-[[1-fluoro-7-(2-methylphenyl)-3-phenylpyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]-N-(3-fluoropropyl)carbamate;tert-butyl N-[2-[3-fluoro-4-[[1-fluoro-7-(2-methylphenyl)-2H-pyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]-N-(3-fluoropropyl)carbamate;1-fluoro-7-(2-methylphenyl)-3-phenyl-2H-pyrrolo[3,2-e]indazole;bis(sulfur dioxide).

Molecular Properties

• Compound Name: tert-butyl N-[2-[3-fluoro-4-[[1-fluoro-7-(2-methylphenyl)-3-phenylpyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]-N-(3-fluoropropyl)carbamate;tert-butyl N-[2-[3-fluoro-4-[[1-fluoro-7-(2-methylphenyl)-2H-pyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]-N-(3-fluoropropyl)carbamate;1-fluoro-7-(2-methylphenyl)-3-phenyl-2H-pyrrolo[3,2-e]indazole;bis(sulfur dioxide)
• PubChem CID: 167629067
• Molecular Formula: C94H90F7N11O8S2
• Molecular Weight: 1698.94 g/mol
• Exact Mass: 1697.63
• IUPAC Name: tert-butyl N-[2-[3-fluoro-4-[[1-fluoro-7-(2-methylphenyl)-3-phenylpyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]-N-(3-fluoropropyl)carbamate;tert-butyl N-[2-[3-fluoro-4-[[1-fluoro-7-(2-methylphenyl)-2H-pyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]-N-(3-fluoropropyl)carbamate;1-fluoro-7-(2-methylphenyl)-3-phenyl-2H-pyrrolo[3,2-e]indazole;bis(sulfur dioxide)
• SMILES: Cc1ccccc1-c1cc2c(ccc3c2c(F)[nH]n3-c2ccccc2)n1.Cc1ccccc1-c1cc2c3c(F)[nH]nc3ccc2n1Cc1ccc(CCN(CCCF)C(=O)OC(C)(C)C)cc1F.Cc1ccccc1-c1cc2c3c(F)nn(-c4ccccc4)c3ccc2n1Cc1ccc(CCN(CCCF)C(=O)OC(C)(C)C)cc1F.O=S=O.O=S=O
• InChI: InChI=1S/C39H39F3N4O2.C33H35F3N4O2.C22H16FN3.2O2S/c1-26-11-8-9-14-30(26)35-24-31-33(17-18-34-36(31)37(42)43-46(34)29-12-6-5-7-13-29)45(35)25-28-16-15-27(23-32(28)41)19-22-44(21-10-20-40)38(47)48-39(2,3)4;1-21-8-5-6-9-24(21)29-19-25-28(13-12-27-30(25)31(36)38-37-27)40(29)20-23-11-10-22(18-26(23)35)14-17-39(16-7-15-34)32(41)42-33(2,3)4;1-14-7-5-6-10-16(14)19-13-17-18(24-19)11-12-20-21(17)22(23)25-26(20)15-8-3-2-4-9-15;2*1-3-2/h5-9,11-18,23-24H,10,19-22,25H2,1-4H3;5-6,8-13,18-19H,7,14-17,20H2,1-4H3,(H,37,38);2-13,25H,1H3
• InChIKey: MRMRKTCKWVLTDZ-UHFFFAOYSA-N
• XLogP: 21.66
• TPSA: 217.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 21
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1698.94
LogP ≤ 5	21.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[3-fluoro-4-[[1-fluoro-7-(2-methylphenyl)-3-phenylpyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]-N-(3-fluoropropyl)carbamate;tert-butyl N-[2-[3-fluoro-4-[[1-fluoro-7-(2-methylphenyl)-2H-pyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]-N-(3-fluoropropyl)carbamate;1-fluoro-7-(2-methylphenyl)-3-phenyl-2H-pyrrolo[3,2-e]indazole;bis(sulfur dioxide)?

The IUPAC name of tert-butyl N-[2-[3-fluoro-4-[[1-fluoro-7-(2-methylphenyl)-3-phenylpyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]-N-(3-fluoropropyl)carbamate;tert-butyl N-[2-[3-fluoro-4-[[1-fluoro-7-(2-methylphenyl)-2H-pyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]-N-(3-fluoropropyl)carbamate;1-fluoro-7-(2-methylphenyl)-3-phenyl-2H-pyrrolo[3,2-e]indazole;bis(sulfur dioxide) (CID 167629067) is tert-butyl N-[2-[3-fluoro-4-[[1-fluoro-7-(2-methylphenyl)-3-phenylpyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]-N-(3-fluoropropyl)carbamate;tert-butyl N-[2-[3-fluoro-4-[[1-fluoro-7-(2-methylphenyl)-2H-pyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]-N-(3-fluoropropyl)carbamate;1-fluoro-7-(2-methylphenyl)-3-phenyl-2H-pyrrolo[3,2-e]indazole;bis(sulfur dioxide).

What is the SMILES notation for tert-butyl N-[2-[3-fluoro-4-[[1-fluoro-7-(2-methylphenyl)-3-phenylpyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]-N-(3-fluoropropyl)carbamate;tert-butyl N-[2-[3-fluoro-4-[[1-fluoro-7-(2-methylphenyl)-2H-pyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]-N-(3-fluoropropyl)carbamate;1-fluoro-7-(2-methylphenyl)-3-phenyl-2H-pyrrolo[3,2-e]indazole;bis(sulfur dioxide)?

The canonical SMILES for tert-butyl N-[2-[3-fluoro-4-[[1-fluoro-7-(2-methylphenyl)-3-phenylpyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]-N-(3-fluoropropyl)carbamate;tert-butyl N-[2-[3-fluoro-4-[[1-fluoro-7-(2-methylphenyl)-2H-pyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]-N-(3-fluoropropyl)carbamate;1-fluoro-7-(2-methylphenyl)-3-phenyl-2H-pyrrolo[3,2-e]indazole;bis(sulfur dioxide) is Cc1ccccc1-c1cc2c(ccc3c2c(F)[nH]n3-c2ccccc2)n1.Cc1ccccc1-c1cc2c3c(F)[nH]nc3ccc2n1Cc1ccc(CCN(CCCF)C(=O)OC(C)(C)C)cc1F.Cc1ccccc1-c1cc2c3c(F)nn(-c4ccccc4)c3ccc2n1Cc1ccc(CCN(CCCF)C(=O)OC(C)(C)C)cc1F.O=S=O.O=S=O.

What is the InChIKey of tert-butyl N-[2-[3-fluoro-4-[[1-fluoro-7-(2-methylphenyl)-3-phenylpyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]-N-(3-fluoropropyl)carbamate;tert-butyl N-[2-[3-fluoro-4-[[1-fluoro-7-(2-methylphenyl)-2H-pyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]-N-(3-fluoropropyl)carbamate;1-fluoro-7-(2-methylphenyl)-3-phenyl-2H-pyrrolo[3,2-e]indazole;bis(sulfur dioxide)?

The InChIKey is MRMRKTCKWVLTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H39F3N4O2.C33H35F3N4O2.C22H16FN3.2O2S/c1-26-11-8-9-14-30(26)35-24-31-33(17-18-34-36(31)37(42)43-46(34)29-12-6-5-7-13-29)45(35)25-28-16-15-27(23-32(28)41)19-22-44(21-10-20-40)38(47)48-39(2,3)4;1-21-8-5-6-9-24(21)29-19-25-28(13-12-27-30(25)31(36)38-37-27)40(29)20-23-11-10-22(18-26(23)35)14-17-39(16-7-15-34)32(41)42-33(2,3)4;1-14-7-5-6-10-16(14)19-13-17-18(24-19)11-12-20-21(17)22(23)25-26(20)15-8-3-2-4-9-15;2*1-3-2/h5-9,11-18,23-24H,10,19-22,25H2,1-4H3;5-6,8-13,18-19H,7,14-17,20H2,1-4H3,(H,37,38);2-13,25H,1H3;;.

What are the key properties of tert-butyl N-[2-[3-fluoro-4-[[1-fluoro-7-(2-methylphenyl)-3-phenylpyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]-N-(3-fluoropropyl)carbamate;tert-butyl N-[2-[3-fluoro-4-[[1-fluoro-7-(2-methylphenyl)-2H-pyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]-N-(3-fluoropropyl)carbamate;1-fluoro-7-(2-methylphenyl)-3-phenyl-2H-pyrrolo[3,2-e]indazole;bis(sulfur dioxide)?

tert-butyl N-[2-[3-fluoro-4-[[1-fluoro-7-(2-methylphenyl)-3-phenylpyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]-N-(3-fluoropropyl)carbamate;tert-butyl N-[2-[3-fluoro-4-[[1-fluoro-7-(2-methylphenyl)-2H-pyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]-N-(3-fluoropropyl)carbamate;1-fluoro-7-(2-methylphenyl)-3-phenyl-2H-pyrrolo[3,2-e]indazole;bis(sulfur dioxide) has a molecular weight of 1698.94 g/mol, XLogP of 21.66, 21 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[2-[3-fluoro-4-[[1-fluoro-7-(2-methylphenyl)-3-phenylpyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]-N-(3-fluoropropyl)carbamate;tert-butyl N-[2-[3-fluoro-4-[[1-fluoro-7-(2-methylphenyl)-2H-pyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]-N-(3-fluoropropyl)carbamate;1-fluoro-7-(2-methylphenyl)-3-phenyl-2H-pyrrolo[3,2-e]indazole;bis(sulfur dioxide) is sourced from PubChem (CID 167629067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).