6-[3-amino-6-(1,3,5-trimethylpyrazol-4-yl)pyrazin-2-yl]-2-(2,6-dichloro-3,5-dimethoxyphenyl)pyridazin-3-one

C22H21Cl2N7O3 — CID 129066757

IUPAC6-[3-amino-6-(1,3,5-trimethylpyrazol-4-yl)pyrazin-2-yl]-2-(2,6-dichloro-3,5-dimethoxyphenyl)pyridazin-3-one
SMILESCOc1cc(OC)c(Cl)c(-n2nc(-c3nc(-c4c(C)nn(C)c4C)cnc3N)ccc2=O)c1Cl
InChIInChI=1S/C22H21Cl2N7O3/c1-10-17(11(2)30(3)28-10)13-9-26-22(25)20(27-13)12-6-7-16(32)31(29-12)21-18(23)14(33-4)8-15(34-5)19(21)24/h6-9H,1-5H3,(H2,25,26)
InChIKeyBOOGXXSASXAIRQ-UHFFFAOYSA-N
MW502.36 g/mol
LogP3.61
Rot. Bonds5

About 6-[3-amino-6-(1,3,5-trimethylpyrazol-4-yl)pyrazin-2-yl]-2-(2,6-dichloro-3,5-dimethoxyphenyl)pyridazin-3-one

6-[3-amino-6-(1,3,5-trimethylpyrazol-4-yl)pyrazin-2-yl]-2-(2,6-dichloro-3,5-dimethoxyphenyl)pyridazin-3-one (PubChem CID 129066757) has the molecular formula C22H21Cl2N7O3 and a molecular weight of 502.36 g/mol. Its IUPAC name is 6-[3-amino-6-(1,3,5-trimethylpyrazol-4-yl)pyrazin-2-yl]-2-(2,6-dichloro-3,5-dimethoxyphenyl)pyridazin-3-one.

Molecular Properties

Compound Name6-[3-amino-6-(1,3,5-trimethylpyrazol-4-yl)pyrazin-2-yl]-2-(2,6-dichloro-3,5-dimethoxyphenyl)pyridazin-3-one
PubChem CID129066757
Molecular FormulaC22H21Cl2N7O3
Molecular Weight502.36 g/mol
Exact Mass501.11
IUPAC Name6-[3-amino-6-(1,3,5-trimethylpyrazol-4-yl)pyrazin-2-yl]-2-(2,6-dichloro-3,5-dimethoxyphenyl)pyridazin-3-one
SMILESCOc1cc(OC)c(Cl)c(-n2nc(-c3nc(-c4c(C)nn(C)c4C)cnc3N)ccc2=O)c1Cl
InChIInChI=1S/C22H21Cl2N7O3/c1-10-17(11(2)30(3)28-10)13-9-26-22(25)20(27-13)12-6-7-16(32)31(29-12)21-18(23)14(33-4)8-15(34-5)19(21)24/h6-9H,1-5H3,(H2,25,26)
InChIKeyBOOGXXSASXAIRQ-UHFFFAOYSA-N
XLogP3.61
TPSA122.97 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.36
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 6-[3-amino-6-(1,3,5-trimethylpyrazol-4-yl)pyrazin-2-yl]-2-(2,6-dichloro-3,5-dimethoxyphenyl)pyridazin-3-one 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

6-[3-amino-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-yl]-2-(2-chloro-6-fluoro-3-methoxyphenyl)pyridazin-3-one
CID 129057346
bis(5-[3-amino-6-(1,3-dimethylpyrazol-4-yl)pyrazin-2-yl]-3-(2-chloro-3,5-dimethoxyphenyl)-1-methylpyrazin-2-one);molecular iodine;hydrochloride;hydroiodide
CID 167647605
tert-butyl 4-[4-[5-amino-6-[1-(2,6-dichloro-3,5-dimethoxyphenyl)-5-methyl-6-oxopyridazin-3-yl]pyrazin-2-yl]pyrazol-1-yl]piperidine-1-carboxylate
CID 129057323
6-[3-amino-6-[1-(cyclopropylmethyl)pyrazol-4-yl]pyrazin-2-yl]-2-(3,5-dimethoxyphenyl)pyridazin-3-one
CID 129066816
3-(2,6-dichloro-3,5-dimethoxyphenyl)-1,7-dimethyl-4H-pyrimido[4,5-d]pyrimidin-2-one
CID 166655203
6-(4-chloro-3,5-dimethoxyphenyl)-5-(2,6-difluorophenyl)-2-methylpyridazin-3-one
CID 165389179
3-(3-chloro-6-methoxy-2-methylphenyl)-1-methylpyrazol-5-amine
CID 117382581
4-(2,6-difluoro-4-methoxyphenyl)-1,3,5-trimethylpyrazole
CID 142521622
4,5-dimethoxy-2-(1,3,5-trimethylpyrazol-4-yl)oxyaniline
CID 83008583
[5-chloro-2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-3-methoxyphenyl]methanamine
CID 104664220
N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78882620
4-[6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]oxyaniline
CID 58917298

Frequently Asked Questions

What is the IUPAC name of 6-[3-amino-6-(1,3,5-trimethylpyrazol-4-yl)pyrazin-2-yl]-2-(2,6-dichloro-3,5-dimethoxyphenyl)pyridazin-3-one?
The IUPAC name of 6-[3-amino-6-(1,3,5-trimethylpyrazol-4-yl)pyrazin-2-yl]-2-(2,6-dichloro-3,5-dimethoxyphenyl)pyridazin-3-one (CID 129066757) is 6-[3-amino-6-(1,3,5-trimethylpyrazol-4-yl)pyrazin-2-yl]-2-(2,6-dichloro-3,5-dimethoxyphenyl)pyridazin-3-one.
What is the SMILES notation for 6-[3-amino-6-(1,3,5-trimethylpyrazol-4-yl)pyrazin-2-yl]-2-(2,6-dichloro-3,5-dimethoxyphenyl)pyridazin-3-one?
The canonical SMILES for 6-[3-amino-6-(1,3,5-trimethylpyrazol-4-yl)pyrazin-2-yl]-2-(2,6-dichloro-3,5-dimethoxyphenyl)pyridazin-3-one is COc1cc(OC)c(Cl)c(-n2nc(-c3nc(-c4c(C)nn(C)c4C)cnc3N)ccc2=O)c1Cl.
What is the InChIKey of 6-[3-amino-6-(1,3,5-trimethylpyrazol-4-yl)pyrazin-2-yl]-2-(2,6-dichloro-3,5-dimethoxyphenyl)pyridazin-3-one?
The InChIKey is BOOGXXSASXAIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl2N7O3/c1-10-17(11(2)30(3)28-10)13-9-26-22(25)20(27-13)12-6-7-16(32)31(29-12)21-18(23)14(33-4)8-15(34-5)19(21)24/h6-9H,1-5H3,(H2,25,26).
What are the key properties of 6-[3-amino-6-(1,3,5-trimethylpyrazol-4-yl)pyrazin-2-yl]-2-(2,6-dichloro-3,5-dimethoxyphenyl)pyridazin-3-one?
6-[3-amino-6-(1,3,5-trimethylpyrazol-4-yl)pyrazin-2-yl]-2-(2,6-dichloro-3,5-dimethoxyphenyl)pyridazin-3-one has a molecular weight of 502.36 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-amino-6-(1,3,5-trimethylpyrazol-4-yl)pyrazin-2-yl]-2-(2,6-dichloro-3,5-dimethoxyphenyl)pyridazin-3-one is sourced from PubChem (CID 129066757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).