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

C23H23N7O3 — CID 129066719

IUPAC6-[3-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-4-cyclopropyl-2-(3,5-dimethoxyphenyl)pyridazin-3-one
SMILESCOc1cc(OC)cc(-n2nc(-c3nc(-c4cnn(C)c4)cnc3N)cc(C3CC3)c2=O)c1
InChIInChI=1S/C23H23N7O3/c1-29-12-14(10-26-29)20-11-25-22(24)21(27-20)19-9-18(13-4-5-13)23(31)30(28-19)15-6-16(32-2)8-17(7-15)33-3/h6-13H,4-5H2,1-3H3,(H2,24,25)
InChIKeyCYHGHBQCTXVJCN-UHFFFAOYSA-N
MW445.48 g/mol
LogP2.57
Rot. Bonds6

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

6-[3-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-4-cyclopropyl-2-(3,5-dimethoxyphenyl)pyridazin-3-one (PubChem CID 129066719) has the molecular formula C23H23N7O3 and a molecular weight of 445.48 g/mol. Its IUPAC name is 6-[3-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-4-cyclopropyl-2-(3,5-dimethoxyphenyl)pyridazin-3-one.

Molecular Properties

Compound Name6-[3-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-4-cyclopropyl-2-(3,5-dimethoxyphenyl)pyridazin-3-one
PubChem CID129066719
Molecular FormulaC23H23N7O3
Molecular Weight445.48 g/mol
Exact Mass445.19
IUPAC Name6-[3-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-4-cyclopropyl-2-(3,5-dimethoxyphenyl)pyridazin-3-one
SMILESCOc1cc(OC)cc(-n2nc(-c3nc(-c4cnn(C)c4)cnc3N)cc(C3CC3)c2=O)c1
InChIInChI=1S/C23H23N7O3/c1-29-12-14(10-26-29)20-11-25-22(24)21(27-20)19-9-18(13-4-5-13)23(31)30(28-19)15-6-16(32-2)8-17(7-15)33-3/h6-13H,4-5H2,1-3H3,(H2,24,25)
InChIKeyCYHGHBQCTXVJCN-UHFFFAOYSA-N
XLogP2.57
TPSA122.97 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

6-[3-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-2-(3,5-dimethoxyphenyl)-4-propylpyridazin-3-one
CID 129066718
6-[3-amino-6-[1-(cyclopropylmethyl)pyrazol-4-yl]pyrazin-2-yl]-2-(3,5-dimethoxyphenyl)pyridazin-3-one
CID 129066816
6-[3-amino-6-[1-[(5,5-dimethylmorpholin-2-yl)methyl]pyrazol-4-yl]pyrazin-2-yl]-2-(3,5-dimethoxyphenyl)pyridazin-3-one
CID 129066687
5-[3-amino-6-(5-methyl-3-pyridinyl)pyrazin-2-yl]-3-(3,5-dimethoxyphenyl)-1-methylpyrazin-2-one
CID 139409482
4-cyclobutyl-2-(3,5-dimethoxyphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridazin-3-one
CID 140809504
6-[3-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-2-(2-methylphenyl)pyridazin-3-one;2,2,2-trifluoroacetic acid
CID 137488723
3-iodo-5-(1-methylpyrazol-4-yl)pyrazin-2-amine
CID 144824181
3,5-bis[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]pyrazin-2-amine
CID 175297930
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
N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[(E)-prop-1-enyl]quinoxalin-6-amine
CID 167052862
5-[8-(3,5-dimethoxyphenyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrimidine-2,4-diamine
CID 5271336
4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethylamino]cyclohexane-1-sulfonamide
CID 122645064

Frequently Asked Questions

What is the IUPAC name of 6-[3-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-4-cyclopropyl-2-(3,5-dimethoxyphenyl)pyridazin-3-one?
The IUPAC name of 6-[3-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-4-cyclopropyl-2-(3,5-dimethoxyphenyl)pyridazin-3-one (CID 129066719) is 6-[3-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-4-cyclopropyl-2-(3,5-dimethoxyphenyl)pyridazin-3-one.
What is the SMILES notation for 6-[3-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-4-cyclopropyl-2-(3,5-dimethoxyphenyl)pyridazin-3-one?
The canonical SMILES for 6-[3-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-4-cyclopropyl-2-(3,5-dimethoxyphenyl)pyridazin-3-one is COc1cc(OC)cc(-n2nc(-c3nc(-c4cnn(C)c4)cnc3N)cc(C3CC3)c2=O)c1.
What is the InChIKey of 6-[3-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-4-cyclopropyl-2-(3,5-dimethoxyphenyl)pyridazin-3-one?
The InChIKey is CYHGHBQCTXVJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O3/c1-29-12-14(10-26-29)20-11-25-22(24)21(27-20)19-9-18(13-4-5-13)23(31)30(28-19)15-6-16(32-2)8-17(7-15)33-3/h6-13H,4-5H2,1-3H3,(H2,24,25).
What are the key properties of 6-[3-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-4-cyclopropyl-2-(3,5-dimethoxyphenyl)pyridazin-3-one?
6-[3-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-4-cyclopropyl-2-(3,5-dimethoxyphenyl)pyridazin-3-one has a molecular weight of 445.48 g/mol, XLogP of 2.57, 6 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]-4-cyclopropyl-2-(3,5-dimethoxyphenyl)pyridazin-3-one is sourced from PubChem (CID 129066719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).