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-carboxamide

C25H20N4O3 — CID 14430747

IUPAC2-(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-carboxamide
SMILESNC(=O)N1CCc2c1ccc1[nH]c(C(=O)N3CC4CC45C3=CC(=O)c3ccccc35)cc21
InChIInChI=1S/C25H20N4O3/c26-24(32)28-8-7-14-16-9-19(27-18(16)5-6-20(14)28)23(31)29-12-13-11-25(13)17-4-2-1-3-15(17)21(30)10-22(25)29/h1-6,9-10,13,27H,7-8,11-12H2,(H2,26,32)
InChIKeyZYNHKKZUGALOOV-UHFFFAOYSA-N
MW424.46 g/mol
LogP3.10
Rot. Bonds1

About 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-carboxamide

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-carboxamide (PubChem CID 14430747) has the molecular formula C25H20N4O3 and a molecular weight of 424.46 g/mol. Its IUPAC name is 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-carboxamide.

Molecular Properties

Compound Name2-(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-carboxamide
PubChem CID14430747
Molecular FormulaC25H20N4O3
Molecular Weight424.46 g/mol
Exact Mass424.15
IUPAC Name2-(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-carboxamide
SMILESNC(=O)N1CCc2c1ccc1[nH]c(C(=O)N3CC4CC45C3=CC(=O)c3ccccc35)cc21
InChIInChI=1S/C25H20N4O3/c26-24(32)28-8-7-14-16-9-19(27-18(16)5-6-20(14)28)23(31)29-12-13-11-25(13)17-4-2-1-3-15(17)21(30)10-22(25)29/h1-6,9-10,13,27H,7-8,11-12H2,(H2,26,32)
InChIKeyZYNHKKZUGALOOV-UHFFFAOYSA-N
XLogP3.10
TPSA99.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 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-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-(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-carboxamide?
The IUPAC name of 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-carboxamide (CID 14430747) is 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-carboxamide.
What is the SMILES notation for 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-carboxamide?
The canonical SMILES for 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-carboxamide is NC(=O)N1CCc2c1ccc1[nH]c(C(=O)N3CC4CC45C3=CC(=O)c3ccccc35)cc21.
What is the InChIKey of 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-carboxamide?
The InChIKey is ZYNHKKZUGALOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O3/c26-24(32)28-8-7-14-16-9-19(27-18(16)5-6-20(14)28)23(31)29-12-13-11-25(13)17-4-2-1-3-15(17)21(30)10-22(25)29/h1-6,9-10,13,27H,7-8,11-12H2,(H2,26,32).
What are the key properties of 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-carboxamide?
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-carboxamide has a molecular weight of 424.46 g/mol, XLogP of 3.10, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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-carboxamide is sourced from PubChem (CID 14430747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).