(2,3,5,6-tetrafluorophenyl) 6-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate

C33H26F4N4O5 — CID 15480272

IUPAC(2,3,5,6-tetrafluorophenyl) 6-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CCc2c1ccc1[nH]c(C(=O)N3CCc4c3ccc3[nH]c(C(=O)Oc5c(F)c(F)cc(F)c5F)cc43)cc21
InChIInChI=1S/C33H26F4N4O5/c1-33(2,3)46-32(44)41-11-9-16-17-12-23(38-21(17)5-7-26(16)41)30(42)40-10-8-15-18-13-24(39-22(18)4-6-25(15)40)31(43)45-29-27(36)19(34)14-20(35)28(29)37/h4-7,12-14,38-39H,8-11H2,1-3H3
InChIKeyILTREXQHTZSCQU-UHFFFAOYSA-N
MW634.59 g/mol
LogP6.93
Rot. Bonds3

About (2,3,5,6-tetrafluorophenyl) 6-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate

(2,3,5,6-tetrafluorophenyl) 6-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate (PubChem CID 15480272) has the molecular formula C33H26F4N4O5 and a molecular weight of 634.59 g/mol. Its IUPAC name is (2,3,5,6-tetrafluorophenyl) 6-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate.

Molecular Properties

Compound Name(2,3,5,6-tetrafluorophenyl) 6-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate
PubChem CID15480272
Molecular FormulaC33H26F4N4O5
Molecular Weight634.59 g/mol
Exact Mass634.18
IUPAC Name(2,3,5,6-tetrafluorophenyl) 6-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CCc2c1ccc1[nH]c(C(=O)N3CCc4c3ccc3[nH]c(C(=O)Oc5c(F)c(F)cc(F)c5F)cc43)cc21
InChIInChI=1S/C33H26F4N4O5/c1-33(2,3)46-32(44)41-11-9-16-17-12-23(38-21(17)5-7-26(16)41)30(42)40-10-8-15-18-13-24(39-22(18)4-6-25(15)40)31(43)45-29-27(36)19(34)14-20(35)28(29)37/h4-7,12-14,38-39H,8-11H2,1-3H3
InChIKeyILTREXQHTZSCQU-UHFFFAOYSA-N
XLogP6.93
TPSA107.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.59
LogP ≤ 56.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze (2,3,5,6-tetrafluorophenyl) 6-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate with MolForge

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Related Compounds

CDPI-trimer methyl ester
CID 356692
(2,3,4,5,6-pentafluorophenyl) 6-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-5-(2,2,3,3,7,7,8,8-octamethyl-1,4,6,9-tetraoxa-5lambda5-arsaspiro[4.4]nonan-5-yl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate
CID 11949826
2,3,5,6-Tetrafluorophenyl 3-carbamoyl-1,2-dihydro-3H-pyrrolo[3,2-e]indole-7-carboxylate
CID 15480264
(2,3,5,6-tetrafluorophenyl) 6-(6-carbamoyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate
CID 15480265
(2,3,5,6-tetrafluorophenyl) 6-[6-(6-carbamoyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate
CID 15480268
2,3,5,6-Tetrafluorophenyl 3-(tert-butyloxycarbonyl)-1,2-dihydro-3H-pyrrolo[3,2-e]indole-7-carboxylate
CID 15480270
[fluoro(phosphanyl)phosphanyl] 6-[6-[6-[2-[N-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-phenyldiazenylanilino]acetyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate
CID 20605774
(2,3,5,6-tetrafluorophenyl) 6-[6-[6-[6-[[(4-methoxyphenyl)-diphenylmethyl]amino]hexanoyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate
CID 22314711
(2,3,5,6-tetrafluorophenyl) 6-(3,3-dimethylbutanoyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate
CID 22890109
(2,3,5,6-tetrafluorophenyl) 6-[6-[6-[2-[[(4-methoxyphenyl)-diphenylmethyl]amino]acetyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate
CID 22890117
ethyl 4-[[2-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethylcarbamoyl]-1H-indol-5-yl]oxy]butanoate
CID 57551329
ethyl 6-[[2-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethylcarbamoyl]-1H-indol-5-yl]oxy]hexanoate
CID 57551456

Frequently Asked Questions

What is the IUPAC name of (2,3,5,6-tetrafluorophenyl) 6-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate?
The IUPAC name of (2,3,5,6-tetrafluorophenyl) 6-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate (CID 15480272) is (2,3,5,6-tetrafluorophenyl) 6-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate.
What is the SMILES notation for (2,3,5,6-tetrafluorophenyl) 6-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate?
The canonical SMILES for (2,3,5,6-tetrafluorophenyl) 6-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate is CC(C)(C)OC(=O)N1CCc2c1ccc1[nH]c(C(=O)N3CCc4c3ccc3[nH]c(C(=O)Oc5c(F)c(F)cc(F)c5F)cc43)cc21.
What is the InChIKey of (2,3,5,6-tetrafluorophenyl) 6-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate?
The InChIKey is ILTREXQHTZSCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H26F4N4O5/c1-33(2,3)46-32(44)41-11-9-16-17-12-23(38-21(17)5-7-26(16)41)30(42)40-10-8-15-18-13-24(39-22(18)4-6-25(15)40)31(43)45-29-27(36)19(34)14-20(35)28(29)37/h4-7,12-14,38-39H,8-11H2,1-3H3.
What are the key properties of (2,3,5,6-tetrafluorophenyl) 6-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate?
(2,3,5,6-tetrafluorophenyl) 6-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate has a molecular weight of 634.59 g/mol, XLogP of 6.93, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,5,6-tetrafluorophenyl) 6-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate is sourced from PubChem (CID 15480272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).