(2,5-dimethylpyrazol-3-yl)-[6-(1H-indol-3-yl)-6H-phenanthridin-5-yl]methanone

C27H22N4O — CID 23118688

IUPAC(2,5-dimethylpyrazol-3-yl)-[6-(1H-indol-3-yl)-6H-phenanthridin-5-yl]methanone
SMILESCc1cc(C(=O)N2c3ccccc3-c3ccccc3C2c2c[nH]c3ccccc23)n(C)n1
InChIInChI=1S/C27H22N4O/c1-17-15-25(30(2)29-17)27(32)31-24-14-8-6-11-20(24)18-9-3-4-12-21(18)26(31)22-16-28-23-13-7-5-10-19(22)23/h3-16,26,28H,1-2H3
InChIKeyOCYWESVWJSDITJ-UHFFFAOYSA-N
MW418.50 g/mol
LogP5.63
Rot. Bonds2

About (2,5-dimethylpyrazol-3-yl)-[6-(1H-indol-3-yl)-6H-phenanthridin-5-yl]methanone

(2,5-dimethylpyrazol-3-yl)-[6-(1H-indol-3-yl)-6H-phenanthridin-5-yl]methanone (PubChem CID 23118688) has the molecular formula C27H22N4O and a molecular weight of 418.50 g/mol. Its IUPAC name is (2,5-dimethylpyrazol-3-yl)-[6-(1H-indol-3-yl)-6H-phenanthridin-5-yl]methanone.

Molecular Properties

Compound Name(2,5-dimethylpyrazol-3-yl)-[6-(1H-indol-3-yl)-6H-phenanthridin-5-yl]methanone
PubChem CID23118688
Molecular FormulaC27H22N4O
Molecular Weight418.50 g/mol
Exact Mass418.18
IUPAC Name(2,5-dimethylpyrazol-3-yl)-[6-(1H-indol-3-yl)-6H-phenanthridin-5-yl]methanone
SMILESCc1cc(C(=O)N2c3ccccc3-c3ccccc3C2c2c[nH]c3ccccc23)n(C)n1
InChIInChI=1S/C27H22N4O/c1-17-15-25(30(2)29-17)27(32)31-24-14-8-6-11-20(24)18-9-3-4-12-21(18)26(31)22-16-28-23-13-7-5-10-19(22)23/h3-16,26,28H,1-2H3
InChIKeyOCYWESVWJSDITJ-UHFFFAOYSA-N
XLogP5.63
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.50
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2,5-dimethylpyrazol-3-yl)-[6-(1H-indol-3-yl)-6H-phenanthridin-5-yl]methanone 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 (2,5-dimethylpyrazol-3-yl)-[6-(1H-indol-3-yl)-6H-phenanthridin-5-yl]methanone?
The IUPAC name of (2,5-dimethylpyrazol-3-yl)-[6-(1H-indol-3-yl)-6H-phenanthridin-5-yl]methanone (CID 23118688) is (2,5-dimethylpyrazol-3-yl)-[6-(1H-indol-3-yl)-6H-phenanthridin-5-yl]methanone.
What is the SMILES notation for (2,5-dimethylpyrazol-3-yl)-[6-(1H-indol-3-yl)-6H-phenanthridin-5-yl]methanone?
The canonical SMILES for (2,5-dimethylpyrazol-3-yl)-[6-(1H-indol-3-yl)-6H-phenanthridin-5-yl]methanone is Cc1cc(C(=O)N2c3ccccc3-c3ccccc3C2c2c[nH]c3ccccc23)n(C)n1.
What is the InChIKey of (2,5-dimethylpyrazol-3-yl)-[6-(1H-indol-3-yl)-6H-phenanthridin-5-yl]methanone?
The InChIKey is OCYWESVWJSDITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N4O/c1-17-15-25(30(2)29-17)27(32)31-24-14-8-6-11-20(24)18-9-3-4-12-21(18)26(31)22-16-28-23-13-7-5-10-19(22)23/h3-16,26,28H,1-2H3.
What are the key properties of (2,5-dimethylpyrazol-3-yl)-[6-(1H-indol-3-yl)-6H-phenanthridin-5-yl]methanone?
(2,5-dimethylpyrazol-3-yl)-[6-(1H-indol-3-yl)-6H-phenanthridin-5-yl]methanone has a molecular weight of 418.50 g/mol, XLogP of 5.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylpyrazol-3-yl)-[6-(1H-indol-3-yl)-6H-phenanthridin-5-yl]methanone is sourced from PubChem (CID 23118688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).