tert-butyl N-[1-methyl-5-[2-(8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraene-11-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]pyrrol-3-yl]carbamate

C35H33N5O5 — CID 10304231

About tert-butyl N-[1-methyl-5-[2-(8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraene-11-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]pyrrol-3-yl]carbamate

tert-butyl N-[1-methyl-5-[2-(8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraene-11-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]pyrrol-3-yl]carbamate (PubChem CID 10304231) has the molecular formula C35H33N5O5 and a molecular weight of 603.68 g/mol. Its IUPAC name is tert-butyl N-[1-methyl-5-[2-(8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraene-11-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]pyrrol-3-yl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[1-methyl-5-[2-(8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraene-11-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]pyrrol-3-yl]carbamate
• PubChem CID: 10304231
• Molecular Formula: C35H33N5O5
• Molecular Weight: 603.68 g/mol
• Exact Mass: 603.25
• IUPAC Name: tert-butyl N-[1-methyl-5-[2-(8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraene-11-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]pyrrol-3-yl]carbamate
• SMILES: Cn1cc(NC(=O)OC(C)(C)C)cc1C(=O)N1CCc2c1ccc1[nH]c(C(=O)N3CC4CC45C3=CC(=O)c3ccccc35)cc21
• InChI: InChI=1S/C35H33N5O5/c1-34(2,3)45-33(44)36-20-13-28(38(4)18-20)32(43)39-12-11-21-23-14-26(37-25(23)9-10-27(21)39)31(42)40-17-19-16-35(19)24-8-6-5-7-22(24)29(41)15-30(35)40/h5-10,13-15,18-19,37H,11-12,16-17H2,1-4H3,(H,36,44)
• InChIKey: MSRRTXNBFJSCBV-UHFFFAOYSA-N
• XLogP: 5.55
• TPSA: 116.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	603.68
LogP ≤ 5	5.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-methyl-5-[2-(8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraene-11-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]pyrrol-3-yl]carbamate?

The IUPAC name of tert-butyl N-[1-methyl-5-[2-(8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraene-11-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]pyrrol-3-yl]carbamate (CID 10304231) is tert-butyl N-[1-methyl-5-[2-(8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraene-11-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]pyrrol-3-yl]carbamate.

What is the SMILES notation for tert-butyl N-[1-methyl-5-[2-(8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraene-11-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]pyrrol-3-yl]carbamate?

The canonical SMILES for tert-butyl N-[1-methyl-5-[2-(8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraene-11-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]pyrrol-3-yl]carbamate is Cn1cc(NC(=O)OC(C)(C)C)cc1C(=O)N1CCc2c1ccc1[nH]c(C(=O)N3CC4CC45C3=CC(=O)c3ccccc35)cc21.

What is the InChIKey of tert-butyl N-[1-methyl-5-[2-(8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraene-11-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]pyrrol-3-yl]carbamate?

The InChIKey is MSRRTXNBFJSCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H33N5O5/c1-34(2,3)45-33(44)36-20-13-28(38(4)18-20)32(43)39-12-11-21-23-14-26(37-25(23)9-10-27(21)39)31(42)40-17-19-16-35(19)24-8-6-5-7-22(24)29(41)15-30(35)40/h5-10,13-15,18-19,37H,11-12,16-17H2,1-4H3,(H,36,44).

What are the key properties of tert-butyl N-[1-methyl-5-[2-(8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraene-11-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]pyrrol-3-yl]carbamate?

tert-butyl N-[1-methyl-5-[2-(8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraene-11-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]pyrrol-3-yl]carbamate has a molecular weight of 603.68 g/mol, XLogP of 5.55, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[1-methyl-5-[2-(8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraene-11-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]pyrrol-3-yl]carbamate is sourced from PubChem (CID 10304231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).