5-[(2R)-4-[6-(4-fluorophenyl)-4,5-dimethylpyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazine-2-carboxylic acid

C22H23FN6O2 — CID 68571886

IUPAC5-[(2R)-4-[6-(4-fluorophenyl)-4,5-dimethylpyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazine-2-carboxylic acid
SMILESCc1c(-c2ccc(F)cc2)nnc(N2CCN(c3cnc(C(=O)O)cn3)[C@H](C)C2)c1C
InChIInChI=1S/C22H23FN6O2/c1-13-12-28(8-9-29(13)19-11-24-18(10-25-19)22(30)31)21-15(3)14(2)20(26-27-21)16-4-6-17(23)7-5-16/h4-7,10-11,13H,8-9,12H2,1-3H3,(H,30,31)/t13-/m1/s1
InChIKeyLIOVPPURPDQFMB-CYBMUJFWSA-N
MW422.46 g/mol
LogP3.10
Rot. Bonds4

About 5-[(2R)-4-[6-(4-fluorophenyl)-4,5-dimethylpyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazine-2-carboxylic acid

5-[(2R)-4-[6-(4-fluorophenyl)-4,5-dimethylpyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazine-2-carboxylic acid (PubChem CID 68571886) has the molecular formula C22H23FN6O2 and a molecular weight of 422.46 g/mol. Its IUPAC name is 5-[(2R)-4-[6-(4-fluorophenyl)-4,5-dimethylpyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2R)-4-[6-(4-fluorophenyl)-4,5-dimethylpyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazine-2-carboxylic acid
PubChem CID68571886
Molecular FormulaC22H23FN6O2
Molecular Weight422.46 g/mol
Exact Mass422.19
IUPAC Name5-[(2R)-4-[6-(4-fluorophenyl)-4,5-dimethylpyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazine-2-carboxylic acid
SMILESCc1c(-c2ccc(F)cc2)nnc(N2CCN(c3cnc(C(=O)O)cn3)[C@H](C)C2)c1C
InChIInChI=1S/C22H23FN6O2/c1-13-12-28(8-9-29(13)19-11-24-18(10-25-19)22(30)31)21-15(3)14(2)20(26-27-21)16-4-6-17(23)7-5-16/h4-7,10-11,13H,8-9,12H2,1-3H3,(H,30,31)/t13-/m1/s1
InChIKeyLIOVPPURPDQFMB-CYBMUJFWSA-N
XLogP3.10
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[(2R)-4-[6-(4-fluorophenyl)-4,5-dimethylpyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazine-2-carboxylic acid 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 5-[(2R)-4-[6-(4-fluorophenyl)-4,5-dimethylpyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[(2R)-4-[6-(4-fluorophenyl)-4,5-dimethylpyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazine-2-carboxylic acid (CID 68571886) is 5-[(2R)-4-[6-(4-fluorophenyl)-4,5-dimethylpyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[(2R)-4-[6-(4-fluorophenyl)-4,5-dimethylpyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[(2R)-4-[6-(4-fluorophenyl)-4,5-dimethylpyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazine-2-carboxylic acid is Cc1c(-c2ccc(F)cc2)nnc(N2CCN(c3cnc(C(=O)O)cn3)[C@H](C)C2)c1C.
What is the InChIKey of 5-[(2R)-4-[6-(4-fluorophenyl)-4,5-dimethylpyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazine-2-carboxylic acid?
The InChIKey is LIOVPPURPDQFMB-CYBMUJFWSA-N. The full InChI is InChI=1S/C22H23FN6O2/c1-13-12-28(8-9-29(13)19-11-24-18(10-25-19)22(30)31)21-15(3)14(2)20(26-27-21)16-4-6-17(23)7-5-16/h4-7,10-11,13H,8-9,12H2,1-3H3,(H,30,31)/t13-/m1/s1.
What are the key properties of 5-[(2R)-4-[6-(4-fluorophenyl)-4,5-dimethylpyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazine-2-carboxylic acid?
5-[(2R)-4-[6-(4-fluorophenyl)-4,5-dimethylpyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazine-2-carboxylic acid has a molecular weight of 422.46 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-4-[6-(4-fluorophenyl)-4,5-dimethylpyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 68571886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).