6-[3-amino-6-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]pyrazin-2-yl]-2-(2,6-dichloro-3,5-dimethoxyphenyl)-4-methylpyridazin-3-one

C24H26Cl2N8O3 — CID 129066693

IUPAC6-[3-amino-6-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]pyrazin-2-yl]-2-(2,6-dichloro-3,5-dimethoxyphenyl)-4-methylpyridazin-3-one
SMILESCOc1cc(OC)c(Cl)c(-n2nc(-c3nc(-c4cnn(CCN(C)C)c4)cnc3N)cc(C)c2=O)c1Cl
InChIInChI=1S/C24H26Cl2N8O3/c1-13-8-15(31-34(24(13)35)22-19(25)17(36-4)9-18(37-5)20(22)26)21-23(27)28-11-16(30-21)14-10-29-33(12-14)7-6-32(2)3/h8-12H,6-7H2,1-5H3,(H2,27,28)
InChIKeyCOLZQIUHTLJTII-UHFFFAOYSA-N
MW545.43 g/mol
LogP3.33
Rot. Bonds8

About 6-[3-amino-6-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]pyrazin-2-yl]-2-(2,6-dichloro-3,5-dimethoxyphenyl)-4-methylpyridazin-3-one

6-[3-amino-6-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]pyrazin-2-yl]-2-(2,6-dichloro-3,5-dimethoxyphenyl)-4-methylpyridazin-3-one (PubChem CID 129066693) has the molecular formula C24H26Cl2N8O3 and a molecular weight of 545.43 g/mol. Its IUPAC name is 6-[3-amino-6-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]pyrazin-2-yl]-2-(2,6-dichloro-3,5-dimethoxyphenyl)-4-methylpyridazin-3-one.

Molecular Properties

Compound Name6-[3-amino-6-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]pyrazin-2-yl]-2-(2,6-dichloro-3,5-dimethoxyphenyl)-4-methylpyridazin-3-one
PubChem CID129066693
Molecular FormulaC24H26Cl2N8O3
Molecular Weight545.43 g/mol
Exact Mass544.15
IUPAC Name6-[3-amino-6-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]pyrazin-2-yl]-2-(2,6-dichloro-3,5-dimethoxyphenyl)-4-methylpyridazin-3-one
SMILESCOc1cc(OC)c(Cl)c(-n2nc(-c3nc(-c4cnn(CCN(C)C)c4)cnc3N)cc(C)c2=O)c1Cl
InChIInChI=1S/C24H26Cl2N8O3/c1-13-8-15(31-34(24(13)35)22-19(25)17(36-4)9-18(37-5)20(22)26)21-23(27)28-11-16(30-21)14-10-29-33(12-14)7-6-32(2)3/h8-12H,6-7H2,1-5H3,(H2,27,28)
InChIKeyCOLZQIUHTLJTII-UHFFFAOYSA-N
XLogP3.33
TPSA126.21 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.43
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 6-[3-amino-6-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]pyrazin-2-yl]-2-(2,6-dichloro-3,5-dimethoxyphenyl)-4-methylpyridazin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[3-amino-6-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]pyrazin-2-yl]-2-(2,6-dichloro-3,5-dimethoxyphenyl)-4-methylpyridazin-3-one?
The IUPAC name of 6-[3-amino-6-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]pyrazin-2-yl]-2-(2,6-dichloro-3,5-dimethoxyphenyl)-4-methylpyridazin-3-one (CID 129066693) is 6-[3-amino-6-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]pyrazin-2-yl]-2-(2,6-dichloro-3,5-dimethoxyphenyl)-4-methylpyridazin-3-one.
What is the SMILES notation for 6-[3-amino-6-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]pyrazin-2-yl]-2-(2,6-dichloro-3,5-dimethoxyphenyl)-4-methylpyridazin-3-one?
The canonical SMILES for 6-[3-amino-6-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]pyrazin-2-yl]-2-(2,6-dichloro-3,5-dimethoxyphenyl)-4-methylpyridazin-3-one is COc1cc(OC)c(Cl)c(-n2nc(-c3nc(-c4cnn(CCN(C)C)c4)cnc3N)cc(C)c2=O)c1Cl.
What is the InChIKey of 6-[3-amino-6-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]pyrazin-2-yl]-2-(2,6-dichloro-3,5-dimethoxyphenyl)-4-methylpyridazin-3-one?
The InChIKey is COLZQIUHTLJTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26Cl2N8O3/c1-13-8-15(31-34(24(13)35)22-19(25)17(36-4)9-18(37-5)20(22)26)21-23(27)28-11-16(30-21)14-10-29-33(12-14)7-6-32(2)3/h8-12H,6-7H2,1-5H3,(H2,27,28).
What are the key properties of 6-[3-amino-6-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]pyrazin-2-yl]-2-(2,6-dichloro-3,5-dimethoxyphenyl)-4-methylpyridazin-3-one?
6-[3-amino-6-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]pyrazin-2-yl]-2-(2,6-dichloro-3,5-dimethoxyphenyl)-4-methylpyridazin-3-one has a molecular weight of 545.43 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-amino-6-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]pyrazin-2-yl]-2-(2,6-dichloro-3,5-dimethoxyphenyl)-4-methylpyridazin-3-one is sourced from PubChem (CID 129066693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).