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

C117H105Cl3F2N14O10S4 — CID 167536978

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

tert-butyl N-[2-[4-[[8-chloro-7-(2-methylphenyl)-3-phenylpyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]-N-(3-fluoropropyl)carbamate;8-chloro-7-(2-methylphenyl)-3-phenyl-2H-pyrrolo[3,2-e]indazole;N-[2-[4-[[8-chloro-7-(2-methylphenyl)-3-phenylpyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]-3-fluoropropan-1-amine;7-(2-methylphenyl)-3-phenyl-2H-pyrrolo[3,2-e]indazole;tetrakis(sulfur dioxide) (PubChem CID 167536978) has the molecular formula C117H105Cl3F2N14O10S4 and a molecular weight of 2139.84 g/mol. Its IUPAC name is tert-butyl N-[2-[4-[[8-chloro-7-(2-methylphenyl)-3-phenylpyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]-N-(3-fluoropropyl)carbamate;8-chloro-7-(2-methylphenyl)-3-phenyl-2H-pyrrolo[3,2-e]indazole;N-[2-[4-[[8-chloro-7-(2-methylphenyl)-3-phenylpyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]-3-fluoropropan-1-amine;7-(2-methylphenyl)-3-phenyl-2H-pyrrolo[3,2-e]indazole;tetrakis(sulfur dioxide).

Molecular Properties

• Compound Name: tert-butyl N-[2-[4-[[8-chloro-7-(2-methylphenyl)-3-phenylpyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]-N-(3-fluoropropyl)carbamate;8-chloro-7-(2-methylphenyl)-3-phenyl-2H-pyrrolo[3,2-e]indazole;N-[2-[4-[[8-chloro-7-(2-methylphenyl)-3-phenylpyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]-3-fluoropropan-1-amine;7-(2-methylphenyl)-3-phenyl-2H-pyrrolo[3,2-e]indazole;tetrakis(sulfur dioxide)
• PubChem CID: 167536978
• Molecular Formula: C117H105Cl3F2N14O10S4
• Molecular Weight: 2139.84 g/mol
• Exact Mass: 2136.61
• IUPAC Name: tert-butyl N-[2-[4-[[8-chloro-7-(2-methylphenyl)-3-phenylpyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]-N-(3-fluoropropyl)carbamate;8-chloro-7-(2-methylphenyl)-3-phenyl-2H-pyrrolo[3,2-e]indazole;N-[2-[4-[[8-chloro-7-(2-methylphenyl)-3-phenylpyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]-3-fluoropropan-1-amine;7-(2-methylphenyl)-3-phenyl-2H-pyrrolo[3,2-e]indazole;tetrakis(sulfur dioxide)
• SMILES: Cc1ccccc1-c1c(Cl)c2c3cnn(-c4ccccc4)c3ccc2n1Cc1ccc(CCN(CCCF)C(=O)OC(C)(C)C)cc1.Cc1ccccc1-c1c(Cl)c2c3cnn(-c4ccccc4)c3ccc2n1Cc1ccc(CCNCCCF)cc1.Cc1ccccc1-c1cc2c(ccc3c2c[nH]n3-c2ccccc2)n1.Cc1ccccc1-c1nc2ccc3c(c[nH]n3-c3ccccc3)c2c1Cl.O=S=O.O=S=O.O=S=O.O=S=O
• InChI: InChI=1S/C39H40ClFN4O2.C34H32ClFN4.C22H16ClN3.C22H17N3.4O2S/c1-27-11-8-9-14-31(27)37-36(40)35-32-25-42-45(30-12-6-5-7-13-30)33(32)19-20-34(35)44(37)26-29-17-15-28(16-18-29)21-24-43(23-10-22-41)38(46)47-39(2,3)4;1-24-8-5-6-11-28(24)34-33(35)32-29-22-38-40(27-9-3-2-4-10-27)30(29)16-17-31(32)39(34)23-26-14-12-25(13-15-26)18-21-37-20-7-19-36;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;1-15-7-5-6-10-17(15)21-13-18-19-14-23-25(16-8-3-2-4-9-16)22(19)12-11-20(18)24-21;4*1-3-2/h5-9,11-20,25H,10,21-24,26H2,1-4H3;2-6,8-17,22,37H,7,18-21,23H2,1H3;2-13,24H,1H3;2-14,23H,1H3
• InChIKey: UMRXEEWGCBEJPL-UHFFFAOYSA-N
• XLogP: 26.88
• TPSA: 290.85 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 21
• Rotatable Bonds: 24
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2139.84
LogP ≤ 5	26.88
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	21

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-[4-[[8-chloro-7-(2-methylphenyl)-3-phenylpyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]-N-(3-fluoropropyl)carbamate;8-chloro-7-(2-methylphenyl)-3-phenyl-2H-pyrrolo[3,2-e]indazole;N-[2-[4-[[8-chloro-7-(2-methylphenyl)-3-phenylpyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]-3-fluoropropan-1-amine;7-(2-methylphenyl)-3-phenyl-2H-pyrrolo[3,2-e]indazole;tetrakis(sulfur dioxide)?

The IUPAC name of tert-butyl N-[2-[4-[[8-chloro-7-(2-methylphenyl)-3-phenylpyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]-N-(3-fluoropropyl)carbamate;8-chloro-7-(2-methylphenyl)-3-phenyl-2H-pyrrolo[3,2-e]indazole;N-[2-[4-[[8-chloro-7-(2-methylphenyl)-3-phenylpyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]-3-fluoropropan-1-amine;7-(2-methylphenyl)-3-phenyl-2H-pyrrolo[3,2-e]indazole;tetrakis(sulfur dioxide) (CID 167536978) is tert-butyl N-[2-[4-[[8-chloro-7-(2-methylphenyl)-3-phenylpyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]-N-(3-fluoropropyl)carbamate;8-chloro-7-(2-methylphenyl)-3-phenyl-2H-pyrrolo[3,2-e]indazole;N-[2-[4-[[8-chloro-7-(2-methylphenyl)-3-phenylpyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]-3-fluoropropan-1-amine;7-(2-methylphenyl)-3-phenyl-2H-pyrrolo[3,2-e]indazole;tetrakis(sulfur dioxide).

What is the SMILES notation for tert-butyl N-[2-[4-[[8-chloro-7-(2-methylphenyl)-3-phenylpyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]-N-(3-fluoropropyl)carbamate;8-chloro-7-(2-methylphenyl)-3-phenyl-2H-pyrrolo[3,2-e]indazole;N-[2-[4-[[8-chloro-7-(2-methylphenyl)-3-phenylpyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]-3-fluoropropan-1-amine;7-(2-methylphenyl)-3-phenyl-2H-pyrrolo[3,2-e]indazole;tetrakis(sulfur dioxide)?

The canonical SMILES for tert-butyl N-[2-[4-[[8-chloro-7-(2-methylphenyl)-3-phenylpyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]-N-(3-fluoropropyl)carbamate;8-chloro-7-(2-methylphenyl)-3-phenyl-2H-pyrrolo[3,2-e]indazole;N-[2-[4-[[8-chloro-7-(2-methylphenyl)-3-phenylpyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]-3-fluoropropan-1-amine;7-(2-methylphenyl)-3-phenyl-2H-pyrrolo[3,2-e]indazole;tetrakis(sulfur dioxide) is Cc1ccccc1-c1c(Cl)c2c3cnn(-c4ccccc4)c3ccc2n1Cc1ccc(CCN(CCCF)C(=O)OC(C)(C)C)cc1.Cc1ccccc1-c1c(Cl)c2c3cnn(-c4ccccc4)c3ccc2n1Cc1ccc(CCNCCCF)cc1.Cc1ccccc1-c1cc2c(ccc3c2c[nH]n3-c2ccccc2)n1.Cc1ccccc1-c1nc2ccc3c(c[nH]n3-c3ccccc3)c2c1Cl.O=S=O.O=S=O.O=S=O.O=S=O.

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

The InChIKey is UMRXEEWGCBEJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H40ClFN4O2.C34H32ClFN4.C22H16ClN3.C22H17N3.4O2S/c1-27-11-8-9-14-31(27)37-36(40)35-32-25-42-45(30-12-6-5-7-13-30)33(32)19-20-34(35)44(37)26-29-17-15-28(16-18-29)21-24-43(23-10-22-41)38(46)47-39(2,3)4;1-24-8-5-6-11-28(24)34-33(35)32-29-22-38-40(27-9-3-2-4-10-27)30(29)16-17-31(32)39(34)23-26-14-12-25(13-15-26)18-21-37-20-7-19-36;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;1-15-7-5-6-10-17(15)21-13-18-19-14-23-25(16-8-3-2-4-9-16)22(19)12-11-20(18)24-21;4*1-3-2/h5-9,11-20,25H,10,21-24,26H2,1-4H3;2-6,8-17,22,37H,7,18-21,23H2,1H3;2-13,24H,1H3;2-14,23H,1H3;;;;.

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

tert-butyl N-[2-[4-[[8-chloro-7-(2-methylphenyl)-3-phenylpyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]-N-(3-fluoropropyl)carbamate;8-chloro-7-(2-methylphenyl)-3-phenyl-2H-pyrrolo[3,2-e]indazole;N-[2-[4-[[8-chloro-7-(2-methylphenyl)-3-phenylpyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]-3-fluoropropan-1-amine;7-(2-methylphenyl)-3-phenyl-2H-pyrrolo[3,2-e]indazole;tetrakis(sulfur dioxide) has a molecular weight of 2139.84 g/mol, XLogP of 26.88, 24 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[2-[4-[[8-chloro-7-(2-methylphenyl)-3-phenylpyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]-N-(3-fluoropropyl)carbamate;8-chloro-7-(2-methylphenyl)-3-phenyl-2H-pyrrolo[3,2-e]indazole;N-[2-[4-[[8-chloro-7-(2-methylphenyl)-3-phenylpyrrolo[3,2-e]indazol-6-yl]methyl]phenyl]ethyl]-3-fluoropropan-1-amine;7-(2-methylphenyl)-3-phenyl-2H-pyrrolo[3,2-e]indazole;tetrakis(sulfur dioxide) is sourced from PubChem (CID 167536978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).