2-[2-[(1R,13R)-2-oxo-11-azatetracyclo[8.4.0.01,13.03,8]tetradeca-3,5,7,9-tetraene-11-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carboxamide

C36H28N6O4 — CID 10603752

About 2-[2-[(1R,13R)-2-oxo-11-azatetracyclo[8.4.0.01,13.03,8]tetradeca-3,5,7,9-tetraene-11-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carboxamide

2-[2-[(1R,13R)-2-oxo-11-azatetracyclo[8.4.0.01,13.03,8]tetradeca-3,5,7,9-tetraene-11-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carboxamide (PubChem CID 10603752) has the molecular formula C36H28N6O4 and a molecular weight of 608.66 g/mol. Its IUPAC name is 2-[2-[(1R,13R)-2-oxo-11-azatetracyclo[8.4.0.01,13.03,8]tetradeca-3,5,7,9-tetraene-11-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carboxamide.

Molecular Properties

• Compound Name: 2-[2-[(1R,13R)-2-oxo-11-azatetracyclo[8.4.0.01,13.03,8]tetradeca-3,5,7,9-tetraene-11-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carboxamide
• PubChem CID: 10603752
• Molecular Formula: C36H28N6O4
• Molecular Weight: 608.66 g/mol
• Exact Mass: 608.22
• IUPAC Name: 2-[2-[(1R,13R)-2-oxo-11-azatetracyclo[8.4.0.01,13.03,8]tetradeca-3,5,7,9-tetraene-11-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carboxamide
• SMILES: NC(=O)N1CCc2c1ccc1[nH]c(C(=O)N3CCc4c3ccc3[nH]c(C(=O)N5C[C@@H]6C[C@@]67C(=O)c6ccccc6C=C57)cc43)cc21
• InChI: InChI=1S/C36H28N6O4/c37-35(46)41-12-10-22-24-14-27(38-26(24)6-8-30(22)41)33(44)40-11-9-21-23-15-28(39-25(23)5-7-29(21)40)34(45)42-17-19-16-36(19)31(42)13-18-3-1-2-4-20(18)32(36)43/h1-8,13-15,19,38-39H,9-12,16-17H2,(H2,37,46)/t19-,36+/m0/s1
• InChIKey: GBDJFUTXVFMDRL-HYRWFULMSA-N
• XLogP: 4.99
• TPSA: 135.60 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	608.66
LogP ≤ 5	4.99
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1R,13R)-2-oxo-11-azatetracyclo[8.4.0.01,13.03,8]tetradeca-3,5,7,9-tetraene-11-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carboxamide?

The IUPAC name of 2-[2-[(1R,13R)-2-oxo-11-azatetracyclo[8.4.0.01,13.03,8]tetradeca-3,5,7,9-tetraene-11-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carboxamide (CID 10603752) is 2-[2-[(1R,13R)-2-oxo-11-azatetracyclo[8.4.0.01,13.03,8]tetradeca-3,5,7,9-tetraene-11-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carboxamide.

What is the SMILES notation for 2-[2-[(1R,13R)-2-oxo-11-azatetracyclo[8.4.0.01,13.03,8]tetradeca-3,5,7,9-tetraene-11-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carboxamide?

The canonical SMILES for 2-[2-[(1R,13R)-2-oxo-11-azatetracyclo[8.4.0.01,13.03,8]tetradeca-3,5,7,9-tetraene-11-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carboxamide is NC(=O)N1CCc2c1ccc1[nH]c(C(=O)N3CCc4c3ccc3[nH]c(C(=O)N5C[C@@H]6C[C@@]67C(=O)c6ccccc6C=C57)cc43)cc21.

What is the InChIKey of 2-[2-[(1R,13R)-2-oxo-11-azatetracyclo[8.4.0.01,13.03,8]tetradeca-3,5,7,9-tetraene-11-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carboxamide?

The InChIKey is GBDJFUTXVFMDRL-HYRWFULMSA-N. The full InChI is InChI=1S/C36H28N6O4/c37-35(46)41-12-10-22-24-14-27(38-26(24)6-8-30(22)41)33(44)40-11-9-21-23-15-28(39-25(23)5-7-29(21)40)34(45)42-17-19-16-36(19)31(42)13-18-3-1-2-4-20(18)32(36)43/h1-8,13-15,19,38-39H,9-12,16-17H2,(H2,37,46)/t19-,36+/m0/s1.

What are the key properties of 2-[2-[(1R,13R)-2-oxo-11-azatetracyclo[8.4.0.01,13.03,8]tetradeca-3,5,7,9-tetraene-11-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carboxamide?

2-[2-[(1R,13R)-2-oxo-11-azatetracyclo[8.4.0.01,13.03,8]tetradeca-3,5,7,9-tetraene-11-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carboxamide has a molecular weight of 608.66 g/mol, XLogP of 4.99, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[(1R,13R)-2-oxo-11-azatetracyclo[8.4.0.01,13.03,8]tetradeca-3,5,7,9-tetraene-11-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carboxamide is sourced from PubChem (CID 10603752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).