6-[6-(1,2,3,6-tetrahydropyrrolo[3,2-e]indole-2-carbonyl)-2,3-dihydro-1H-pyrrolo[3,2-e]indole-2-carbonyl]-2,3-dihydro-1H-pyrrolo[3,2-e]indole-2-carboxylic acid

C33H26N6O4 — CID 66717160

IUPAC6-[6-(1,2,3,6-tetrahydropyrrolo[3,2-e]indole-2-carbonyl)-2,3-dihydro-1H-pyrrolo[3,2-e]indole-2-carbonyl]-2,3-dihydro-1H-pyrrolo[3,2-e]indole-2-carboxylic acid
SMILESO=C(O)C1Cc2c(ccc3c2ccn3C(=O)C2Cc3c(ccc4c3ccn4C(=O)C3Cc4c(ccc5[nH]ccc45)N3)N2)N1
InChIInChI=1S/C33H26N6O4/c40-31(26-13-19-16-7-10-34-22(16)1-2-23(19)35-26)38-11-8-17-20-14-27(36-24(20)3-5-29(17)38)32(41)39-12-9-18-21-15-28(33(42)43)37-25(21)4-6-30(18)39/h1-12,26-28,34-37H,13-15H2,(H,42,43)
InChIKeyGOCMBSQPXNLJAD-UHFFFAOYSA-N
MW570.61 g/mol
LogP4.85
Rot. Bonds3

About 6-[6-(1,2,3,6-tetrahydropyrrolo[3,2-e]indole-2-carbonyl)-2,3-dihydro-1H-pyrrolo[3,2-e]indole-2-carbonyl]-2,3-dihydro-1H-pyrrolo[3,2-e]indole-2-carboxylic acid

6-[6-(1,2,3,6-tetrahydropyrrolo[3,2-e]indole-2-carbonyl)-2,3-dihydro-1H-pyrrolo[3,2-e]indole-2-carbonyl]-2,3-dihydro-1H-pyrrolo[3,2-e]indole-2-carboxylic acid (PubChem CID 66717160) has the molecular formula C33H26N6O4 and a molecular weight of 570.61 g/mol. Its IUPAC name is 6-[6-(1,2,3,6-tetrahydropyrrolo[3,2-e]indole-2-carbonyl)-2,3-dihydro-1H-pyrrolo[3,2-e]indole-2-carbonyl]-2,3-dihydro-1H-pyrrolo[3,2-e]indole-2-carboxylic acid.

Molecular Properties

Compound Name6-[6-(1,2,3,6-tetrahydropyrrolo[3,2-e]indole-2-carbonyl)-2,3-dihydro-1H-pyrrolo[3,2-e]indole-2-carbonyl]-2,3-dihydro-1H-pyrrolo[3,2-e]indole-2-carboxylic acid
PubChem CID66717160
Molecular FormulaC33H26N6O4
Molecular Weight570.61 g/mol
Exact Mass570.20
IUPAC Name6-[6-(1,2,3,6-tetrahydropyrrolo[3,2-e]indole-2-carbonyl)-2,3-dihydro-1H-pyrrolo[3,2-e]indole-2-carbonyl]-2,3-dihydro-1H-pyrrolo[3,2-e]indole-2-carboxylic acid
SMILESO=C(O)C1Cc2c(ccc3c2ccn3C(=O)C2Cc3c(ccc4c3ccn4C(=O)C3Cc4c(ccc5[nH]ccc45)N3)N2)N1
InChIInChI=1S/C33H26N6O4/c40-31(26-13-19-16-7-10-34-22(16)1-2-23(19)35-26)38-11-8-17-20-14-27(36-24(20)3-5-29(17)38)32(41)39-12-9-18-21-15-28(33(42)43)37-25(21)4-6-30(18)39/h1-12,26-28,34-37H,13-15H2,(H,42,43)
InChIKeyGOCMBSQPXNLJAD-UHFFFAOYSA-N
XLogP4.85
TPSA133.18 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500570.61
LogP ≤ 54.85
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze 6-[6-(1,2,3,6-tetrahydropyrrolo[3,2-e]indole-2-carbonyl)-2,3-dihydro-1H-pyrrolo[3,2-e]indole-2-carbonyl]-2,3-dihydro-1H-pyrrolo[3,2-e]indole-2-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[6-(1,2,3,6-tetrahydropyrrolo[3,2-e]indole-2-carbonyl)-2,3-dihydro-1H-pyrrolo[3,2-e]indole-2-carbonyl]-2,3-dihydro-1H-pyrrolo[3,2-e]indole-2-carboxylic acid?
The IUPAC name of 6-[6-(1,2,3,6-tetrahydropyrrolo[3,2-e]indole-2-carbonyl)-2,3-dihydro-1H-pyrrolo[3,2-e]indole-2-carbonyl]-2,3-dihydro-1H-pyrrolo[3,2-e]indole-2-carboxylic acid (CID 66717160) is 6-[6-(1,2,3,6-tetrahydropyrrolo[3,2-e]indole-2-carbonyl)-2,3-dihydro-1H-pyrrolo[3,2-e]indole-2-carbonyl]-2,3-dihydro-1H-pyrrolo[3,2-e]indole-2-carboxylic acid.
What is the SMILES notation for 6-[6-(1,2,3,6-tetrahydropyrrolo[3,2-e]indole-2-carbonyl)-2,3-dihydro-1H-pyrrolo[3,2-e]indole-2-carbonyl]-2,3-dihydro-1H-pyrrolo[3,2-e]indole-2-carboxylic acid?
The canonical SMILES for 6-[6-(1,2,3,6-tetrahydropyrrolo[3,2-e]indole-2-carbonyl)-2,3-dihydro-1H-pyrrolo[3,2-e]indole-2-carbonyl]-2,3-dihydro-1H-pyrrolo[3,2-e]indole-2-carboxylic acid is O=C(O)C1Cc2c(ccc3c2ccn3C(=O)C2Cc3c(ccc4c3ccn4C(=O)C3Cc4c(ccc5[nH]ccc45)N3)N2)N1.
What is the InChIKey of 6-[6-(1,2,3,6-tetrahydropyrrolo[3,2-e]indole-2-carbonyl)-2,3-dihydro-1H-pyrrolo[3,2-e]indole-2-carbonyl]-2,3-dihydro-1H-pyrrolo[3,2-e]indole-2-carboxylic acid?
The InChIKey is GOCMBSQPXNLJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H26N6O4/c40-31(26-13-19-16-7-10-34-22(16)1-2-23(19)35-26)38-11-8-17-20-14-27(36-24(20)3-5-29(17)38)32(41)39-12-9-18-21-15-28(33(42)43)37-25(21)4-6-30(18)39/h1-12,26-28,34-37H,13-15H2,(H,42,43).
What are the key properties of 6-[6-(1,2,3,6-tetrahydropyrrolo[3,2-e]indole-2-carbonyl)-2,3-dihydro-1H-pyrrolo[3,2-e]indole-2-carbonyl]-2,3-dihydro-1H-pyrrolo[3,2-e]indole-2-carboxylic acid?
6-[6-(1,2,3,6-tetrahydropyrrolo[3,2-e]indole-2-carbonyl)-2,3-dihydro-1H-pyrrolo[3,2-e]indole-2-carbonyl]-2,3-dihydro-1H-pyrrolo[3,2-e]indole-2-carboxylic acid has a molecular weight of 570.61 g/mol, XLogP of 4.85, 3 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(1,2,3,6-tetrahydropyrrolo[3,2-e]indole-2-carbonyl)-2,3-dihydro-1H-pyrrolo[3,2-e]indole-2-carbonyl]-2,3-dihydro-1H-pyrrolo[3,2-e]indole-2-carboxylic acid is sourced from PubChem (CID 66717160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).