(2,5-dimethylpyrazol-3-yl)-[5-(furan-2-carbonyl)-6H-phenanthridin-6-yl]methanone

C24H19N3O3 — CID 44592720

IUPAC(2,5-dimethylpyrazol-3-yl)-[5-(furan-2-carbonyl)-6H-phenanthridin-6-yl]methanone
SMILESCc1cc(C(=O)C2c3ccccc3-c3ccccc3N2C(=O)c2ccco2)n(C)n1
InChIInChI=1S/C24H19N3O3/c1-15-14-20(26(2)25-15)23(28)22-18-10-4-3-8-16(18)17-9-5-6-11-19(17)27(22)24(29)21-12-7-13-30-21/h3-14,22H,1-2H3
InChIKeyWTZHEOSRJOMHKC-UHFFFAOYSA-N
MW397.43 g/mol
LogP4.57
Rot. Bonds3

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

(2,5-dimethylpyrazol-3-yl)-[5-(furan-2-carbonyl)-6H-phenanthridin-6-yl]methanone (PubChem CID 44592720) has the molecular formula C24H19N3O3 and a molecular weight of 397.43 g/mol. Its IUPAC name is (2,5-dimethylpyrazol-3-yl)-[5-(furan-2-carbonyl)-6H-phenanthridin-6-yl]methanone.

Molecular Properties

Compound Name(2,5-dimethylpyrazol-3-yl)-[5-(furan-2-carbonyl)-6H-phenanthridin-6-yl]methanone
PubChem CID44592720
Molecular FormulaC24H19N3O3
Molecular Weight397.43 g/mol
Exact Mass397.14
IUPAC Name(2,5-dimethylpyrazol-3-yl)-[5-(furan-2-carbonyl)-6H-phenanthridin-6-yl]methanone
SMILESCc1cc(C(=O)C2c3ccccc3-c3ccccc3N2C(=O)c2ccco2)n(C)n1
InChIInChI=1S/C24H19N3O3/c1-15-14-20(26(2)25-15)23(28)22-18-10-4-3-8-16(18)17-9-5-6-11-19(17)27(22)24(29)21-12-7-13-30-21/h3-14,22H,1-2H3
InChIKeyWTZHEOSRJOMHKC-UHFFFAOYSA-N
XLogP4.57
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylpyrazol-3-yl)-[5-(furan-2-carbonyl)-6H-phenanthridin-6-yl]methanone?
The IUPAC name of (2,5-dimethylpyrazol-3-yl)-[5-(furan-2-carbonyl)-6H-phenanthridin-6-yl]methanone (CID 44592720) is (2,5-dimethylpyrazol-3-yl)-[5-(furan-2-carbonyl)-6H-phenanthridin-6-yl]methanone.
What is the SMILES notation for (2,5-dimethylpyrazol-3-yl)-[5-(furan-2-carbonyl)-6H-phenanthridin-6-yl]methanone?
The canonical SMILES for (2,5-dimethylpyrazol-3-yl)-[5-(furan-2-carbonyl)-6H-phenanthridin-6-yl]methanone is Cc1cc(C(=O)C2c3ccccc3-c3ccccc3N2C(=O)c2ccco2)n(C)n1.
What is the InChIKey of (2,5-dimethylpyrazol-3-yl)-[5-(furan-2-carbonyl)-6H-phenanthridin-6-yl]methanone?
The InChIKey is WTZHEOSRJOMHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O3/c1-15-14-20(26(2)25-15)23(28)22-18-10-4-3-8-16(18)17-9-5-6-11-19(17)27(22)24(29)21-12-7-13-30-21/h3-14,22H,1-2H3.
What are the key properties of (2,5-dimethylpyrazol-3-yl)-[5-(furan-2-carbonyl)-6H-phenanthridin-6-yl]methanone?
(2,5-dimethylpyrazol-3-yl)-[5-(furan-2-carbonyl)-6H-phenanthridin-6-yl]methanone has a molecular weight of 397.43 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylpyrazol-3-yl)-[5-(furan-2-carbonyl)-6H-phenanthridin-6-yl]methanone is sourced from PubChem (CID 44592720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).