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

C23H25N7O3 — CID 129066718

IUPAC6-[3-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-2-(3,5-dimethoxyphenyl)-4-propylpyridazin-3-one
SMILESCCCc1cc(-c2nc(-c3cnn(C)c3)cnc2N)nn(-c2cc(OC)cc(OC)c2)c1=O
InChIInChI=1S/C23H25N7O3/c1-5-6-14-7-19(21-22(24)25-12-20(27-21)15-11-26-29(2)13-15)28-30(23(14)31)16-8-17(32-3)10-18(9-16)33-4/h7-13H,5-6H2,1-4H3,(H2,24,25)
InChIKeyVHSWPDHBOFKLJJ-UHFFFAOYSA-N
MW447.50 g/mol
LogP2.64
Rot. Bonds7

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

6-[3-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-2-(3,5-dimethoxyphenyl)-4-propylpyridazin-3-one (PubChem CID 129066718) has the molecular formula C23H25N7O3 and a molecular weight of 447.50 g/mol. Its IUPAC name is 6-[3-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-2-(3,5-dimethoxyphenyl)-4-propylpyridazin-3-one.

Molecular Properties

Compound Name6-[3-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-2-(3,5-dimethoxyphenyl)-4-propylpyridazin-3-one
PubChem CID129066718
Molecular FormulaC23H25N7O3
Molecular Weight447.50 g/mol
Exact Mass447.20
IUPAC Name6-[3-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-2-(3,5-dimethoxyphenyl)-4-propylpyridazin-3-one
SMILESCCCc1cc(-c2nc(-c3cnn(C)c3)cnc2N)nn(-c2cc(OC)cc(OC)c2)c1=O
InChIInChI=1S/C23H25N7O3/c1-5-6-14-7-19(21-22(24)25-12-20(27-21)15-11-26-29(2)13-15)28-30(23(14)31)16-8-17(32-3)10-18(9-16)33-4/h7-13H,5-6H2,1-4H3,(H2,24,25)
InChIKeyVHSWPDHBOFKLJJ-UHFFFAOYSA-N
XLogP2.64
TPSA122.97 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.50
LogP ≤ 52.64
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]-4-cyclopropyl-2-(3,5-dimethoxyphenyl)pyridazin-3-one
CID 129066719
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
6-[3-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-2-(2-methylphenyl)pyridazin-3-one;2,2,2-trifluoroacetic acid
CID 137488723
5-[3-amino-6-(5-methyl-3-pyridinyl)pyrazin-2-yl]-3-(3,5-dimethoxyphenyl)-1-methylpyrazin-2-one
CID 139409482
3-iodo-5-(1-methylpyrazol-4-yl)pyrazin-2-amine
CID 144824181
N-(2-aminoethyl)-2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)acetamide
CID 67467276
3-[[4-methoxy-5-[(4-methoxyphenyl)methoxy]-2-pyridinyl]methoxy]-5-(1-methylpyrazol-4-yl)pyrazin-2-amine
CID 46870016
N'-[(R)-(3,5-dimethoxyphenyl)-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]methyl]-N-propan-2-ylethane-1,2-diamine;methane;hydrochloride
CID 158783297
3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-amine
CID 71040961
N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[(E)-prop-1-enyl]quinoxalin-6-amine
CID 167052862
1-(3,5-dimethoxyphenyl)-1-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propan-2-one
CID 123860730

Frequently Asked Questions

What is the IUPAC name of 6-[3-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-2-(3,5-dimethoxyphenyl)-4-propylpyridazin-3-one?
The IUPAC name of 6-[3-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-2-(3,5-dimethoxyphenyl)-4-propylpyridazin-3-one (CID 129066718) is 6-[3-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-2-(3,5-dimethoxyphenyl)-4-propylpyridazin-3-one.
What is the SMILES notation for 6-[3-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-2-(3,5-dimethoxyphenyl)-4-propylpyridazin-3-one?
The canonical SMILES for 6-[3-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-2-(3,5-dimethoxyphenyl)-4-propylpyridazin-3-one is CCCc1cc(-c2nc(-c3cnn(C)c3)cnc2N)nn(-c2cc(OC)cc(OC)c2)c1=O.
What is the InChIKey of 6-[3-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-2-(3,5-dimethoxyphenyl)-4-propylpyridazin-3-one?
The InChIKey is VHSWPDHBOFKLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O3/c1-5-6-14-7-19(21-22(24)25-12-20(27-21)15-11-26-29(2)13-15)28-30(23(14)31)16-8-17(32-3)10-18(9-16)33-4/h7-13H,5-6H2,1-4H3,(H2,24,25).
What are the key properties of 6-[3-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-2-(3,5-dimethoxyphenyl)-4-propylpyridazin-3-one?
6-[3-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-2-(3,5-dimethoxyphenyl)-4-propylpyridazin-3-one has a molecular weight of 447.50 g/mol, XLogP of 2.64, 7 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-(3,5-dimethoxyphenyl)-4-propylpyridazin-3-one is sourced from PubChem (CID 129066718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).