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

C20H18ClN7O3 — CID 129066794

IUPAC6-[3-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-2-(2-chloro-3,5-dimethoxyphenyl)pyridazin-3-one
SMILESCOc1cc(OC)c(Cl)c(-n2nc(-c3nc(-c4cnn(C)c4)cnc3N)ccc2=O)c1
InChIInChI=1S/C20H18ClN7O3/c1-27-10-11(8-24-27)14-9-23-20(22)19(25-14)13-4-5-17(29)28(26-13)15-6-12(30-2)7-16(31-3)18(15)21/h4-10H,1-3H3,(H2,22,23)
InChIKeyCYWDLLRCEFUKME-UHFFFAOYSA-N
MW439.86 g/mol
LogP2.34
Rot. Bonds5

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

6-[3-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-2-(2-chloro-3,5-dimethoxyphenyl)pyridazin-3-one (PubChem CID 129066794) has the molecular formula C20H18ClN7O3 and a molecular weight of 439.86 g/mol. Its IUPAC name is 6-[3-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-2-(2-chloro-3,5-dimethoxyphenyl)pyridazin-3-one.

Molecular Properties

Compound Name6-[3-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-2-(2-chloro-3,5-dimethoxyphenyl)pyridazin-3-one
PubChem CID129066794
Molecular FormulaC20H18ClN7O3
Molecular Weight439.86 g/mol
Exact Mass439.12
IUPAC Name6-[3-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-2-(2-chloro-3,5-dimethoxyphenyl)pyridazin-3-one
SMILESCOc1cc(OC)c(Cl)c(-n2nc(-c3nc(-c4cnn(C)c4)cnc3N)ccc2=O)c1
InChIInChI=1S/C20H18ClN7O3/c1-27-10-11(8-24-27)14-9-23-20(22)19(25-14)13-4-5-17(29)28(26-13)15-6-12(30-2)7-16(31-3)18(15)21/h4-10H,1-3H3,(H2,22,23)
InChIKeyCYWDLLRCEFUKME-UHFFFAOYSA-N
XLogP2.34
TPSA122.97 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.86
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 6-[3-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-2-(2-chloro-3,5-dimethoxyphenyl)pyridazin-3-one?
The IUPAC name of 6-[3-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-2-(2-chloro-3,5-dimethoxyphenyl)pyridazin-3-one (CID 129066794) is 6-[3-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-2-(2-chloro-3,5-dimethoxyphenyl)pyridazin-3-one.
What is the SMILES notation for 6-[3-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-2-(2-chloro-3,5-dimethoxyphenyl)pyridazin-3-one?
The canonical SMILES for 6-[3-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-2-(2-chloro-3,5-dimethoxyphenyl)pyridazin-3-one is COc1cc(OC)c(Cl)c(-n2nc(-c3nc(-c4cnn(C)c4)cnc3N)ccc2=O)c1.
What is the InChIKey of 6-[3-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-2-(2-chloro-3,5-dimethoxyphenyl)pyridazin-3-one?
The InChIKey is CYWDLLRCEFUKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN7O3/c1-27-10-11(8-24-27)14-9-23-20(22)19(25-14)13-4-5-17(29)28(26-13)15-6-12(30-2)7-16(31-3)18(15)21/h4-10H,1-3H3,(H2,22,23).
What are the key properties of 6-[3-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-2-(2-chloro-3,5-dimethoxyphenyl)pyridazin-3-one?
6-[3-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-2-(2-chloro-3,5-dimethoxyphenyl)pyridazin-3-one has a molecular weight of 439.86 g/mol, XLogP of 2.34, 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-methylpyrazol-4-yl)pyrazin-2-yl]-2-(2-chloro-3,5-dimethoxyphenyl)pyridazin-3-one is sourced from PubChem (CID 129066794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).