N-ethyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylphthalazine-1-carboxamide

C22H24FN5O — CID 42690699

IUPACN-ethyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylphthalazine-1-carboxamide
SMILESCCN(C)C(=O)c1nnc(N2CCN(c3ccccc3F)CC2)c2ccccc12
InChIInChI=1S/C22H24FN5O/c1-3-26(2)22(29)20-16-8-4-5-9-17(16)21(25-24-20)28-14-12-27(13-15-28)19-11-7-6-10-18(19)23/h4-11H,3,12-15H2,1-2H3
InChIKeyWTSBYWXWEVZDFK-UHFFFAOYSA-N
MW393.47 g/mol
LogP3.19
Rot. Bonds4

About N-ethyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylphthalazine-1-carboxamide

N-ethyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylphthalazine-1-carboxamide (PubChem CID 42690699) has the molecular formula C22H24FN5O and a molecular weight of 393.47 g/mol. Its IUPAC name is N-ethyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylphthalazine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylphthalazine-1-carboxamide
PubChem CID42690699
Molecular FormulaC22H24FN5O
Molecular Weight393.47 g/mol
Exact Mass393.20
IUPAC NameN-ethyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylphthalazine-1-carboxamide
SMILESCCN(C)C(=O)c1nnc(N2CCN(c3ccccc3F)CC2)c2ccccc12
InChIInChI=1S/C22H24FN5O/c1-3-26(2)22(29)20-16-8-4-5-9-17(16)21(25-24-20)28-14-12-27(13-15-28)19-11-7-6-10-18(19)23/h4-11H,3,12-15H2,1-2H3
InChIKeyWTSBYWXWEVZDFK-UHFFFAOYSA-N
XLogP3.19
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-ethyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylphthalazine-1-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 N-ethyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylphthalazine-1-carboxamide?
The IUPAC name of N-ethyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylphthalazine-1-carboxamide (CID 42690699) is N-ethyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylphthalazine-1-carboxamide.
What is the SMILES notation for N-ethyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylphthalazine-1-carboxamide?
The canonical SMILES for N-ethyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylphthalazine-1-carboxamide is CCN(C)C(=O)c1nnc(N2CCN(c3ccccc3F)CC2)c2ccccc12.
What is the InChIKey of N-ethyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylphthalazine-1-carboxamide?
The InChIKey is WTSBYWXWEVZDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O/c1-3-26(2)22(29)20-16-8-4-5-9-17(16)21(25-24-20)28-14-12-27(13-15-28)19-11-7-6-10-18(19)23/h4-11H,3,12-15H2,1-2H3.
What are the key properties of N-ethyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylphthalazine-1-carboxamide?
N-ethyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylphthalazine-1-carboxamide has a molecular weight of 393.47 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylphthalazine-1-carboxamide is sourced from PubChem (CID 42690699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).