6-[4-(2-methoxyethylamino)phenyl]-5,7-dimethyl-3-phenylpyrrolo[3,4-d]pyridazin-4-one

C23H24N4O2 — CID 170983305

IUPAC6-[4-(2-methoxyethylamino)phenyl]-5,7-dimethyl-3-phenylpyrrolo[3,4-d]pyridazin-4-one
SMILESCOCCNc1ccc(-n2c(C)c3cnn(-c4ccccc4)c(=O)c3c2C)cc1
InChIInChI=1S/C23H24N4O2/c1-16-21-15-25-27(20-7-5-4-6-8-20)23(28)22(21)17(2)26(16)19-11-9-18(10-12-19)24-13-14-29-3/h4-12,15,24H,13-14H2,1-3H3
InChIKeyAMJXQQYUYUAAJZ-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.85
Rot. Bonds6

About 6-[4-(2-methoxyethylamino)phenyl]-5,7-dimethyl-3-phenylpyrrolo[3,4-d]pyridazin-4-one

6-[4-(2-methoxyethylamino)phenyl]-5,7-dimethyl-3-phenylpyrrolo[3,4-d]pyridazin-4-one (PubChem CID 170983305) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 6-[4-(2-methoxyethylamino)phenyl]-5,7-dimethyl-3-phenylpyrrolo[3,4-d]pyridazin-4-one.

Molecular Properties

Compound Name6-[4-(2-methoxyethylamino)phenyl]-5,7-dimethyl-3-phenylpyrrolo[3,4-d]pyridazin-4-one
PubChem CID170983305
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name6-[4-(2-methoxyethylamino)phenyl]-5,7-dimethyl-3-phenylpyrrolo[3,4-d]pyridazin-4-one
SMILESCOCCNc1ccc(-n2c(C)c3cnn(-c4ccccc4)c(=O)c3c2C)cc1
InChIInChI=1S/C23H24N4O2/c1-16-21-15-25-27(20-7-5-4-6-8-20)23(28)22(21)17(2)26(16)19-11-9-18(10-12-19)24-13-14-29-3/h4-12,15,24H,13-14H2,1-3H3
InChIKeyAMJXQQYUYUAAJZ-UHFFFAOYSA-N
XLogP3.85
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-methoxyethylamino)phenyl]-5,7-dimethyl-3-phenylpyrrolo[3,4-d]pyridazin-4-one?
The IUPAC name of 6-[4-(2-methoxyethylamino)phenyl]-5,7-dimethyl-3-phenylpyrrolo[3,4-d]pyridazin-4-one (CID 170983305) is 6-[4-(2-methoxyethylamino)phenyl]-5,7-dimethyl-3-phenylpyrrolo[3,4-d]pyridazin-4-one.
What is the SMILES notation for 6-[4-(2-methoxyethylamino)phenyl]-5,7-dimethyl-3-phenylpyrrolo[3,4-d]pyridazin-4-one?
The canonical SMILES for 6-[4-(2-methoxyethylamino)phenyl]-5,7-dimethyl-3-phenylpyrrolo[3,4-d]pyridazin-4-one is COCCNc1ccc(-n2c(C)c3cnn(-c4ccccc4)c(=O)c3c2C)cc1.
What is the InChIKey of 6-[4-(2-methoxyethylamino)phenyl]-5,7-dimethyl-3-phenylpyrrolo[3,4-d]pyridazin-4-one?
The InChIKey is AMJXQQYUYUAAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-16-21-15-25-27(20-7-5-4-6-8-20)23(28)22(21)17(2)26(16)19-11-9-18(10-12-19)24-13-14-29-3/h4-12,15,24H,13-14H2,1-3H3.
What are the key properties of 6-[4-(2-methoxyethylamino)phenyl]-5,7-dimethyl-3-phenylpyrrolo[3,4-d]pyridazin-4-one?
6-[4-(2-methoxyethylamino)phenyl]-5,7-dimethyl-3-phenylpyrrolo[3,4-d]pyridazin-4-one has a molecular weight of 388.47 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-methoxyethylamino)phenyl]-5,7-dimethyl-3-phenylpyrrolo[3,4-d]pyridazin-4-one is sourced from PubChem (CID 170983305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).