2-bromo-N-(2-pyrrolidin-1-ylethyl)-5,12-dihydroindolo[3,2-c]carbazole-6-carboxamide

C25H23BrN4O — CID 155522772

IUPAC2-bromo-N-(2-pyrrolidin-1-ylethyl)-5,12-dihydroindolo[3,2-c]carbazole-6-carboxamide
SMILESO=C(NCCN1CCCC1)c1cc2c3ccccc3[nH]c2c2c1[nH]c1ccc(Br)cc12
InChIInChI=1S/C25H23BrN4O/c26-15-7-8-21-18(13-15)22-23-17(16-5-1-2-6-20(16)28-23)14-19(24(22)29-21)25(31)27-9-12-30-10-3-4-11-30/h1-2,5-8,13-14,28-29H,3-4,9-12H2,(H,27,31)
InChIKeyFSOMWIUOVOPZPL-UHFFFAOYSA-N
MW475.39 g/mol
LogP5.54
Rot. Bonds4

About 2-bromo-N-(2-pyrrolidin-1-ylethyl)-5,12-dihydroindolo[3,2-c]carbazole-6-carboxamide

2-bromo-N-(2-pyrrolidin-1-ylethyl)-5,12-dihydroindolo[3,2-c]carbazole-6-carboxamide (PubChem CID 155522772) has the molecular formula C25H23BrN4O and a molecular weight of 475.39 g/mol. Its IUPAC name is 2-bromo-N-(2-pyrrolidin-1-ylethyl)-5,12-dihydroindolo[3,2-c]carbazole-6-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(2-pyrrolidin-1-ylethyl)-5,12-dihydroindolo[3,2-c]carbazole-6-carboxamide
PubChem CID155522772
Molecular FormulaC25H23BrN4O
Molecular Weight475.39 g/mol
Exact Mass474.11
IUPAC Name2-bromo-N-(2-pyrrolidin-1-ylethyl)-5,12-dihydroindolo[3,2-c]carbazole-6-carboxamide
SMILESO=C(NCCN1CCCC1)c1cc2c3ccccc3[nH]c2c2c1[nH]c1ccc(Br)cc12
InChIInChI=1S/C25H23BrN4O/c26-15-7-8-21-18(13-15)22-23-17(16-5-1-2-6-20(16)28-23)14-19(24(22)29-21)25(31)27-9-12-30-10-3-4-11-30/h1-2,5-8,13-14,28-29H,3-4,9-12H2,(H,27,31)
InChIKeyFSOMWIUOVOPZPL-UHFFFAOYSA-N
XLogP5.54
TPSA63.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.39
LogP ≤ 55.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 2-bromo-N-(2-pyrrolidin-1-ylethyl)-5,12-dihydroindolo[3,2-c]carbazole-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-pyrrolidin-1-ylethyl)-5,12-dihydroindolo[3,2-c]carbazole-6-carboxamide?
The IUPAC name of 2-bromo-N-(2-pyrrolidin-1-ylethyl)-5,12-dihydroindolo[3,2-c]carbazole-6-carboxamide (CID 155522772) is 2-bromo-N-(2-pyrrolidin-1-ylethyl)-5,12-dihydroindolo[3,2-c]carbazole-6-carboxamide.
What is the SMILES notation for 2-bromo-N-(2-pyrrolidin-1-ylethyl)-5,12-dihydroindolo[3,2-c]carbazole-6-carboxamide?
The canonical SMILES for 2-bromo-N-(2-pyrrolidin-1-ylethyl)-5,12-dihydroindolo[3,2-c]carbazole-6-carboxamide is O=C(NCCN1CCCC1)c1cc2c3ccccc3[nH]c2c2c1[nH]c1ccc(Br)cc12.
What is the InChIKey of 2-bromo-N-(2-pyrrolidin-1-ylethyl)-5,12-dihydroindolo[3,2-c]carbazole-6-carboxamide?
The InChIKey is FSOMWIUOVOPZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23BrN4O/c26-15-7-8-21-18(13-15)22-23-17(16-5-1-2-6-20(16)28-23)14-19(24(22)29-21)25(31)27-9-12-30-10-3-4-11-30/h1-2,5-8,13-14,28-29H,3-4,9-12H2,(H,27,31).
What are the key properties of 2-bromo-N-(2-pyrrolidin-1-ylethyl)-5,12-dihydroindolo[3,2-c]carbazole-6-carboxamide?
2-bromo-N-(2-pyrrolidin-1-ylethyl)-5,12-dihydroindolo[3,2-c]carbazole-6-carboxamide has a molecular weight of 475.39 g/mol, XLogP of 5.54, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-pyrrolidin-1-ylethyl)-5,12-dihydroindolo[3,2-c]carbazole-6-carboxamide is sourced from PubChem (CID 155522772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).