5-[3-amino-6-[(Z)-3-amino-1-methyliminobut-2-en-2-yl]pyrazin-2-yl]-3-(2-chloro-3,5-dimethoxyphenyl)-1-methylpyrazin-2-one

C22H24ClN7O3 — CID 155394926

IUPAC5-[3-amino-6-[(Z)-3-amino-1-methyliminobut-2-en-2-yl]pyrazin-2-yl]-3-(2-chloro-3,5-dimethoxyphenyl)-1-methylpyrazin-2-one
SMILESC/N=C/C(=C(/C)N)c1cnc(N)c(-c2cn(C)c(=O)c(-c3cc(OC)cc(OC)c3Cl)n2)n1
InChIInChI=1S/C22H24ClN7O3/c1-11(24)14(8-26-2)15-9-27-21(25)20(28-15)16-10-30(3)22(31)19(29-16)13-6-12(32-4)7-17(33-5)18(13)23/h6-10H,24H2,1-5H3,(H2,25,27)/b14-11+,26-8+
InChIKeyCUFWWICQQHBHOK-KVMVLPBPSA-N
MW469.93 g/mol
LogP2.55
Rot. Bonds6

About 5-[3-amino-6-[(Z)-3-amino-1-methyliminobut-2-en-2-yl]pyrazin-2-yl]-3-(2-chloro-3,5-dimethoxyphenyl)-1-methylpyrazin-2-one

5-[3-amino-6-[(Z)-3-amino-1-methyliminobut-2-en-2-yl]pyrazin-2-yl]-3-(2-chloro-3,5-dimethoxyphenyl)-1-methylpyrazin-2-one (PubChem CID 155394926) has the molecular formula C22H24ClN7O3 and a molecular weight of 469.93 g/mol. Its IUPAC name is 5-[3-amino-6-[(Z)-3-amino-1-methyliminobut-2-en-2-yl]pyrazin-2-yl]-3-(2-chloro-3,5-dimethoxyphenyl)-1-methylpyrazin-2-one.

Molecular Properties

Compound Name5-[3-amino-6-[(Z)-3-amino-1-methyliminobut-2-en-2-yl]pyrazin-2-yl]-3-(2-chloro-3,5-dimethoxyphenyl)-1-methylpyrazin-2-one
PubChem CID155394926
Molecular FormulaC22H24ClN7O3
Molecular Weight469.93 g/mol
Exact Mass469.16
IUPAC Name5-[3-amino-6-[(Z)-3-amino-1-methyliminobut-2-en-2-yl]pyrazin-2-yl]-3-(2-chloro-3,5-dimethoxyphenyl)-1-methylpyrazin-2-one
SMILESC/N=C/C(=C(/C)N)c1cnc(N)c(-c2cn(C)c(=O)c(-c3cc(OC)cc(OC)c3Cl)n2)n1
InChIInChI=1S/C22H24ClN7O3/c1-11(24)14(8-26-2)15-9-27-21(25)20(28-15)16-10-30(3)22(31)19(29-16)13-6-12(32-4)7-17(33-5)18(13)23/h6-10H,24H2,1-5H3,(H2,25,27)/b14-11+,26-8+
InChIKeyCUFWWICQQHBHOK-KVMVLPBPSA-N
XLogP2.55
TPSA143.53 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.93
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 5-[3-amino-6-[(Z)-3-amino-1-methyliminobut-2-en-2-yl]pyrazin-2-yl]-3-(2-chloro-3,5-dimethoxyphenyl)-1-methylpyrazin-2-one with MolForge

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Related Compounds

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
5-[3-amino-6-(5-methyl-3-pyridinyl)pyrazin-2-yl]-3-(3,5-dimethoxyphenyl)-1-methylpyrazin-2-one
CID 139409482
N-[(Z)-2-[3-amino-6-(1,3-dimethylpyrazol-4-yl)pyrazin-2-yl]-2-[1-(2-chloro-3,5-dimethoxyphenyl)ethylideneamino]ethenyl]-N-methylformamide
CID 167104142
6-(2-chloro-3,5-dimethoxyphenyl)-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
CID 137491286
2-amino-6-(2-chloro-3,5-dimethoxyphenyl)pyridine-3-carboximidamide;4-(3,5-dimethylpiperazin-1-yl)benzaldehyde
CID 145019684
5-[3-amino-6-[3-methyl-1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazin-2-yl]-3-(3,5-dimethoxyphenyl)-1-methylpyrazin-2-one;5-[3-amino-6-[5-methyl-1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazin-2-yl]-3-(3,5-dimethoxyphenyl)-1-methylpyrazin-2-one
CID 159323280
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
3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)pyrazin-2-amine
CID 142945202
3-methyl-5-(2,4,6-trimethoxyphenyl)imidazol-4-amine
CID 62016972
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
N-[5-[2-[6-(2-chloro-3,5-dimethoxyphenyl)-2-(methylamino)-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]pyrazin-2-yl]prop-2-enamide
CID 86291934
3-(6-chloro-1,5-naphthyridin-3-yl)-4-methyliminobut-2-en-2-amine
CID 147408052

Frequently Asked Questions

What is the IUPAC name of 5-[3-amino-6-[(Z)-3-amino-1-methyliminobut-2-en-2-yl]pyrazin-2-yl]-3-(2-chloro-3,5-dimethoxyphenyl)-1-methylpyrazin-2-one?
The IUPAC name of 5-[3-amino-6-[(Z)-3-amino-1-methyliminobut-2-en-2-yl]pyrazin-2-yl]-3-(2-chloro-3,5-dimethoxyphenyl)-1-methylpyrazin-2-one (CID 155394926) is 5-[3-amino-6-[(Z)-3-amino-1-methyliminobut-2-en-2-yl]pyrazin-2-yl]-3-(2-chloro-3,5-dimethoxyphenyl)-1-methylpyrazin-2-one.
What is the SMILES notation for 5-[3-amino-6-[(Z)-3-amino-1-methyliminobut-2-en-2-yl]pyrazin-2-yl]-3-(2-chloro-3,5-dimethoxyphenyl)-1-methylpyrazin-2-one?
The canonical SMILES for 5-[3-amino-6-[(Z)-3-amino-1-methyliminobut-2-en-2-yl]pyrazin-2-yl]-3-(2-chloro-3,5-dimethoxyphenyl)-1-methylpyrazin-2-one is C/N=C/C(=C(/C)N)c1cnc(N)c(-c2cn(C)c(=O)c(-c3cc(OC)cc(OC)c3Cl)n2)n1.
What is the InChIKey of 5-[3-amino-6-[(Z)-3-amino-1-methyliminobut-2-en-2-yl]pyrazin-2-yl]-3-(2-chloro-3,5-dimethoxyphenyl)-1-methylpyrazin-2-one?
The InChIKey is CUFWWICQQHBHOK-KVMVLPBPSA-N. The full InChI is InChI=1S/C22H24ClN7O3/c1-11(24)14(8-26-2)15-9-27-21(25)20(28-15)16-10-30(3)22(31)19(29-16)13-6-12(32-4)7-17(33-5)18(13)23/h6-10H,24H2,1-5H3,(H2,25,27)/b14-11+,26-8+.
What are the key properties of 5-[3-amino-6-[(Z)-3-amino-1-methyliminobut-2-en-2-yl]pyrazin-2-yl]-3-(2-chloro-3,5-dimethoxyphenyl)-1-methylpyrazin-2-one?
5-[3-amino-6-[(Z)-3-amino-1-methyliminobut-2-en-2-yl]pyrazin-2-yl]-3-(2-chloro-3,5-dimethoxyphenyl)-1-methylpyrazin-2-one has a molecular weight of 469.93 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-amino-6-[(Z)-3-amino-1-methyliminobut-2-en-2-yl]pyrazin-2-yl]-3-(2-chloro-3,5-dimethoxyphenyl)-1-methylpyrazin-2-one is sourced from PubChem (CID 155394926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).