tert-butyl N-[2-[3-fluoro-4-[[8-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-[[8-fluoro-7-(2-methylphenyl)-3H-pyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]-N-(3-fluoropropyl)carbamate;3-fluoro-N-[2-[3-fluoro-4-[[8-fluoro-7-(2-methylphenyl)-3H-pyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]propan-1-amine;8-fluoro-7-(2-methylphenyl)-3-phenyl-2H-pyrrolo[3,2-e]indazole;bis(sulfur dioxide)

C122H117F10N15O8S2 — CID 167671062

About tert-butyl N-[2-[3-fluoro-4-[[8-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-[[8-fluoro-7-(2-methylphenyl)-3H-pyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]-N-(3-fluoropropyl)carbamate;3-fluoro-N-[2-[3-fluoro-4-[[8-fluoro-7-(2-methylphenyl)-3H-pyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]propan-1-amine;8-fluoro-7-(2-methylphenyl)-3-phenyl-2H-pyrrolo[3,2-e]indazole;bis(sulfur dioxide)

tert-butyl N-[2-[3-fluoro-4-[[8-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-[[8-fluoro-7-(2-methylphenyl)-3H-pyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]-N-(3-fluoropropyl)carbamate;3-fluoro-N-[2-[3-fluoro-4-[[8-fluoro-7-(2-methylphenyl)-3H-pyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]propan-1-amine;8-fluoro-7-(2-methylphenyl)-3-phenyl-2H-pyrrolo[3,2-e]indazole;bis(sulfur dioxide) (PubChem CID 167671062) has the molecular formula C122H117F10N15O8S2 and a molecular weight of 2175.49 g/mol. Its IUPAC name is tert-butyl N-[2-[3-fluoro-4-[[8-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-[[8-fluoro-7-(2-methylphenyl)-3H-pyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]-N-(3-fluoropropyl)carbamate;3-fluoro-N-[2-[3-fluoro-4-[[8-fluoro-7-(2-methylphenyl)-3H-pyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]propan-1-amine;8-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-[[8-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-[[8-fluoro-7-(2-methylphenyl)-3H-pyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]-N-(3-fluoropropyl)carbamate;3-fluoro-N-[2-[3-fluoro-4-[[8-fluoro-7-(2-methylphenyl)-3H-pyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]propan-1-amine;8-fluoro-7-(2-methylphenyl)-3-phenyl-2H-pyrrolo[3,2-e]indazole;bis(sulfur dioxide)
• PubChem CID: 167671062
• Molecular Formula: C122H117F10N15O8S2
• Molecular Weight: 2175.49 g/mol
• Exact Mass: 2173.85
• IUPAC Name: tert-butyl N-[2-[3-fluoro-4-[[8-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-[[8-fluoro-7-(2-methylphenyl)-3H-pyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]-N-(3-fluoropropyl)carbamate;3-fluoro-N-[2-[3-fluoro-4-[[8-fluoro-7-(2-methylphenyl)-3H-pyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]propan-1-amine;8-fluoro-7-(2-methylphenyl)-3-phenyl-2H-pyrrolo[3,2-e]indazole;bis(sulfur dioxide)
• SMILES: Cc1ccccc1-c1c(F)c2c3cn[nH]c3ccc2n1Cc1ccc(CCN(CCCF)C(=O)OC(C)(C)C)cc1F.Cc1ccccc1-c1c(F)c2c3cn[nH]c3ccc2n1Cc1ccc(CCNCCCF)cc1F.Cc1ccccc1-c1c(F)c2c3cnn(-c4ccccc4)c3ccc2n1Cc1ccc(CCN(CCCF)C(=O)OC(C)(C)C)cc1F.Cc1ccccc1-c1nc2ccc3c(c[nH]n3-c3ccccc3)c2c1F.O=S=O.O=S=O
• InChI: InChI=1S/C39H39F3N4O2.C33H35F3N4O2.C28H27F3N4.C22H16FN3.2O2S/c1-26-11-8-9-14-30(26)37-36(42)35-31-24-43-46(29-12-6-5-7-13-29)33(31)17-18-34(35)45(37)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)31-30(36)29-25-19-37-38-27(25)12-13-28(29)40(31)20-23-11-10-22(18-26(23)35)14-17-39(16-7-15-34)32(41)42-33(2,3)4;1-18-5-2-3-6-21(18)28-27(31)26-22-16-33-34-24(22)9-10-25(26)35(28)17-20-8-7-19(15-23(20)30)11-14-32-13-4-12-29;1-14-7-5-6-10-16(14)22-21(23)20-17-13-24-26(15-8-3-2-4-9-15)19(17)12-11-18(20)25-22;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);2-3,5-10,15-16,32H,4,11-14,17H2,1H3,(H,33,34);2-13,24H,1H3
• InChIKey: UEIQCNINMFOBNZ-UHFFFAOYSA-N
• XLogP: 27.97
• TPSA: 262.97 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 30
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2175.49
LogP ≤ 5	27.97
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[3-fluoro-4-[[8-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-[[8-fluoro-7-(2-methylphenyl)-3H-pyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]-N-(3-fluoropropyl)carbamate;3-fluoro-N-[2-[3-fluoro-4-[[8-fluoro-7-(2-methylphenyl)-3H-pyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]propan-1-amine;8-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-[[8-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-[[8-fluoro-7-(2-methylphenyl)-3H-pyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]-N-(3-fluoropropyl)carbamate;3-fluoro-N-[2-[3-fluoro-4-[[8-fluoro-7-(2-methylphenyl)-3H-pyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]propan-1-amine;8-fluoro-7-(2-methylphenyl)-3-phenyl-2H-pyrrolo[3,2-e]indazole;bis(sulfur dioxide) (CID 167671062) is tert-butyl N-[2-[3-fluoro-4-[[8-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-[[8-fluoro-7-(2-methylphenyl)-3H-pyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]-N-(3-fluoropropyl)carbamate;3-fluoro-N-[2-[3-fluoro-4-[[8-fluoro-7-(2-methylphenyl)-3H-pyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]propan-1-amine;8-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-[[8-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-[[8-fluoro-7-(2-methylphenyl)-3H-pyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]-N-(3-fluoropropyl)carbamate;3-fluoro-N-[2-[3-fluoro-4-[[8-fluoro-7-(2-methylphenyl)-3H-pyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]propan-1-amine;8-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-[[8-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-[[8-fluoro-7-(2-methylphenyl)-3H-pyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]-N-(3-fluoropropyl)carbamate;3-fluoro-N-[2-[3-fluoro-4-[[8-fluoro-7-(2-methylphenyl)-3H-pyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]propan-1-amine;8-fluoro-7-(2-methylphenyl)-3-phenyl-2H-pyrrolo[3,2-e]indazole;bis(sulfur dioxide) is Cc1ccccc1-c1c(F)c2c3cn[nH]c3ccc2n1Cc1ccc(CCN(CCCF)C(=O)OC(C)(C)C)cc1F.Cc1ccccc1-c1c(F)c2c3cn[nH]c3ccc2n1Cc1ccc(CCNCCCF)cc1F.Cc1ccccc1-c1c(F)c2c3cnn(-c4ccccc4)c3ccc2n1Cc1ccc(CCN(CCCF)C(=O)OC(C)(C)C)cc1F.Cc1ccccc1-c1nc2ccc3c(c[nH]n3-c3ccccc3)c2c1F.O=S=O.O=S=O.

What is the InChIKey of tert-butyl N-[2-[3-fluoro-4-[[8-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-[[8-fluoro-7-(2-methylphenyl)-3H-pyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]-N-(3-fluoropropyl)carbamate;3-fluoro-N-[2-[3-fluoro-4-[[8-fluoro-7-(2-methylphenyl)-3H-pyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]propan-1-amine;8-fluoro-7-(2-methylphenyl)-3-phenyl-2H-pyrrolo[3,2-e]indazole;bis(sulfur dioxide)?

The InChIKey is UEIQCNINMFOBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H39F3N4O2.C33H35F3N4O2.C28H27F3N4.C22H16FN3.2O2S/c1-26-11-8-9-14-30(26)37-36(42)35-31-24-43-46(29-12-6-5-7-13-29)33(31)17-18-34(35)45(37)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)31-30(36)29-25-19-37-38-27(25)12-13-28(29)40(31)20-23-11-10-22(18-26(23)35)14-17-39(16-7-15-34)32(41)42-33(2,3)4;1-18-5-2-3-6-21(18)28-27(31)26-22-16-33-34-24(22)9-10-25(26)35(28)17-20-8-7-19(15-23(20)30)11-14-32-13-4-12-29;1-14-7-5-6-10-16(14)22-21(23)20-17-13-24-26(15-8-3-2-4-9-15)19(17)12-11-18(20)25-22;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);2-3,5-10,15-16,32H,4,11-14,17H2,1H3,(H,33,34);2-13,24H,1H3;;.

What are the key properties of tert-butyl N-[2-[3-fluoro-4-[[8-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-[[8-fluoro-7-(2-methylphenyl)-3H-pyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]-N-(3-fluoropropyl)carbamate;3-fluoro-N-[2-[3-fluoro-4-[[8-fluoro-7-(2-methylphenyl)-3H-pyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]propan-1-amine;8-fluoro-7-(2-methylphenyl)-3-phenyl-2H-pyrrolo[3,2-e]indazole;bis(sulfur dioxide)?

tert-butyl N-[2-[3-fluoro-4-[[8-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-[[8-fluoro-7-(2-methylphenyl)-3H-pyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]-N-(3-fluoropropyl)carbamate;3-fluoro-N-[2-[3-fluoro-4-[[8-fluoro-7-(2-methylphenyl)-3H-pyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]propan-1-amine;8-fluoro-7-(2-methylphenyl)-3-phenyl-2H-pyrrolo[3,2-e]indazole;bis(sulfur dioxide) has a molecular weight of 2175.49 g/mol, XLogP of 27.97, 30 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[2-[3-fluoro-4-[[8-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-[[8-fluoro-7-(2-methylphenyl)-3H-pyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]-N-(3-fluoropropyl)carbamate;3-fluoro-N-[2-[3-fluoro-4-[[8-fluoro-7-(2-methylphenyl)-3H-pyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]propan-1-amine;8-fluoro-7-(2-methylphenyl)-3-phenyl-2H-pyrrolo[3,2-e]indazole;bis(sulfur dioxide) is sourced from PubChem (CID 167671062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).