methyl 5-[(2R)-4-[6-(3-chloro-4-fluorophenyl)-4,5-dimethylpyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazine-2-carboxylate

C23H24ClFN6O2 — CID 59191579

IUPACmethyl 5-[(2R)-4-[6-(3-chloro-4-fluorophenyl)-4,5-dimethylpyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazine-2-carboxylate
SMILESCOC(=O)c1cnc(N2CCN(c3nnc(-c4ccc(F)c(Cl)c4)c(C)c3C)C[C@H]2C)cn1
InChIInChI=1S/C23H24ClFN6O2/c1-13-12-30(7-8-31(13)20-11-26-19(10-27-20)23(32)33-4)22-15(3)14(2)21(28-29-22)16-5-6-18(25)17(24)9-16/h5-6,9-11,13H,7-8,12H2,1-4H3/t13-/m1/s1
InChIKeyQHYINPMHPSJHOL-CYBMUJFWSA-N
MW470.94 g/mol
LogP3.84
Rot. Bonds4

About methyl 5-[(2R)-4-[6-(3-chloro-4-fluorophenyl)-4,5-dimethylpyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazine-2-carboxylate

methyl 5-[(2R)-4-[6-(3-chloro-4-fluorophenyl)-4,5-dimethylpyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazine-2-carboxylate (PubChem CID 59191579) has the molecular formula C23H24ClFN6O2 and a molecular weight of 470.94 g/mol. Its IUPAC name is methyl 5-[(2R)-4-[6-(3-chloro-4-fluorophenyl)-4,5-dimethylpyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(2R)-4-[6-(3-chloro-4-fluorophenyl)-4,5-dimethylpyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazine-2-carboxylate
PubChem CID59191579
Molecular FormulaC23H24ClFN6O2
Molecular Weight470.94 g/mol
Exact Mass470.16
IUPAC Namemethyl 5-[(2R)-4-[6-(3-chloro-4-fluorophenyl)-4,5-dimethylpyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazine-2-carboxylate
SMILESCOC(=O)c1cnc(N2CCN(c3nnc(-c4ccc(F)c(Cl)c4)c(C)c3C)C[C@H]2C)cn1
InChIInChI=1S/C23H24ClFN6O2/c1-13-12-30(7-8-31(13)20-11-26-19(10-27-20)23(32)33-4)22-15(3)14(2)21(28-29-22)16-5-6-18(25)17(24)9-16/h5-6,9-11,13H,7-8,12H2,1-4H3/t13-/m1/s1
InChIKeyQHYINPMHPSJHOL-CYBMUJFWSA-N
XLogP3.84
TPSA84.34 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.94
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 5-[(2R)-4-[6-(3-chloro-4-fluorophenyl)-4,5-dimethylpyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US20240018122, Example 122
CID 168072227
US20240018122, Example 94
CID 168072237
US20240018122, Example 99
CID 168072437
US20240018122, Example 113
CID 168072505
US20240018122, Example 91
CID 168072561
methyl 5-[(2R)-4-[6-(3-cyano-4-fluorophenyl)-4,5-dimethylpyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazine-2-carboxylate
CID 59191495
methyl 5-[(2S)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]pyrazine-2-carboxylate
CID 59191504
(r)-4-(4,5-Dimethyl-6-pyridin-2-ylmethyl-pyridazin-3-yl)-2-methyl-3,4,5,6-tetrahydro-2h-[1,2']bipyrazinyl-5'-carboxylic acid methyl ester
CID 59191517
Methyl 2-[4-[6-(3-chlorophenyl)-4,5-dimethylpyridazin-3-yl]piperazin-1-yl]-4-(trifluoromethyl)pyrimidine-5-carboxylate
CID 59191527
(R)-4-(4,5-Dimethyl-6-pyridin-4-ylmethyl-pyridazin-3-yl)-2-methyl-3,4,5,6-tetrahydro-2H-[1,2']bipyrazinyl-5'-carboxylic acid methyl ester
CID 59191557
(R)-Methyl 5-(4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl)pyrazine-2-carboxylate
CID 59191561
(R)-4-(6-Benzyl-4,5-dimethyl-pyridazin-3-yl)-2-methyl-3,4,5,6-tetrahydro-2H-[1,2']bipyrazinyl-5'-carboxylic acid
CID 59191562

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(2R)-4-[6-(3-chloro-4-fluorophenyl)-4,5-dimethylpyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazine-2-carboxylate?
The IUPAC name of methyl 5-[(2R)-4-[6-(3-chloro-4-fluorophenyl)-4,5-dimethylpyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazine-2-carboxylate (CID 59191579) is methyl 5-[(2R)-4-[6-(3-chloro-4-fluorophenyl)-4,5-dimethylpyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 5-[(2R)-4-[6-(3-chloro-4-fluorophenyl)-4,5-dimethylpyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazine-2-carboxylate?
The canonical SMILES for methyl 5-[(2R)-4-[6-(3-chloro-4-fluorophenyl)-4,5-dimethylpyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazine-2-carboxylate is COC(=O)c1cnc(N2CCN(c3nnc(-c4ccc(F)c(Cl)c4)c(C)c3C)C[C@H]2C)cn1.
What is the InChIKey of methyl 5-[(2R)-4-[6-(3-chloro-4-fluorophenyl)-4,5-dimethylpyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazine-2-carboxylate?
The InChIKey is QHYINPMHPSJHOL-CYBMUJFWSA-N. The full InChI is InChI=1S/C23H24ClFN6O2/c1-13-12-30(7-8-31(13)20-11-26-19(10-27-20)23(32)33-4)22-15(3)14(2)21(28-29-22)16-5-6-18(25)17(24)9-16/h5-6,9-11,13H,7-8,12H2,1-4H3/t13-/m1/s1.
What are the key properties of methyl 5-[(2R)-4-[6-(3-chloro-4-fluorophenyl)-4,5-dimethylpyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazine-2-carboxylate?
methyl 5-[(2R)-4-[6-(3-chloro-4-fluorophenyl)-4,5-dimethylpyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazine-2-carboxylate has a molecular weight of 470.94 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(2R)-4-[6-(3-chloro-4-fluorophenyl)-4,5-dimethylpyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazine-2-carboxylate is sourced from PubChem (CID 59191579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).