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

C22H22N4O — CID 170983303

IUPAC6-[3-(dimethylamino)phenyl]-5,7-dimethyl-3-phenylpyrrolo[3,4-d]pyridazin-4-one
SMILESCc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1-c1cccc(N(C)C)c1
InChIInChI=1S/C22H22N4O/c1-15-20-14-23-26(17-9-6-5-7-10-17)22(27)21(20)16(2)25(15)19-12-8-11-18(13-19)24(3)4/h5-14H,1-4H3
InChIKeyUCQWDXOETLQWIB-UHFFFAOYSA-N
MW358.45 g/mol
LogP3.86
Rot. Bonds3

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

6-[3-(dimethylamino)phenyl]-5,7-dimethyl-3-phenylpyrrolo[3,4-d]pyridazin-4-one (PubChem CID 170983303) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is 6-[3-(dimethylamino)phenyl]-5,7-dimethyl-3-phenylpyrrolo[3,4-d]pyridazin-4-one.

Molecular Properties

Compound Name6-[3-(dimethylamino)phenyl]-5,7-dimethyl-3-phenylpyrrolo[3,4-d]pyridazin-4-one
PubChem CID170983303
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC Name6-[3-(dimethylamino)phenyl]-5,7-dimethyl-3-phenylpyrrolo[3,4-d]pyridazin-4-one
SMILESCc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1-c1cccc(N(C)C)c1
InChIInChI=1S/C22H22N4O/c1-15-20-14-23-26(17-9-6-5-7-10-17)22(27)21(20)16(2)25(15)19-12-8-11-18(13-19)24(3)4/h5-14H,1-4H3
InChIKeyUCQWDXOETLQWIB-UHFFFAOYSA-N
XLogP3.86
TPSA43.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(dimethylamino)phenyl]-5,7-dimethyl-3-phenylpyrrolo[3,4-d]pyridazin-4-one?
The IUPAC name of 6-[3-(dimethylamino)phenyl]-5,7-dimethyl-3-phenylpyrrolo[3,4-d]pyridazin-4-one (CID 170983303) is 6-[3-(dimethylamino)phenyl]-5,7-dimethyl-3-phenylpyrrolo[3,4-d]pyridazin-4-one.
What is the SMILES notation for 6-[3-(dimethylamino)phenyl]-5,7-dimethyl-3-phenylpyrrolo[3,4-d]pyridazin-4-one?
The canonical SMILES for 6-[3-(dimethylamino)phenyl]-5,7-dimethyl-3-phenylpyrrolo[3,4-d]pyridazin-4-one is Cc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1-c1cccc(N(C)C)c1.
What is the InChIKey of 6-[3-(dimethylamino)phenyl]-5,7-dimethyl-3-phenylpyrrolo[3,4-d]pyridazin-4-one?
The InChIKey is UCQWDXOETLQWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c1-15-20-14-23-26(17-9-6-5-7-10-17)22(27)21(20)16(2)25(15)19-12-8-11-18(13-19)24(3)4/h5-14H,1-4H3.
What are the key properties of 6-[3-(dimethylamino)phenyl]-5,7-dimethyl-3-phenylpyrrolo[3,4-d]pyridazin-4-one?
6-[3-(dimethylamino)phenyl]-5,7-dimethyl-3-phenylpyrrolo[3,4-d]pyridazin-4-one has a molecular weight of 358.45 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(dimethylamino)phenyl]-5,7-dimethyl-3-phenylpyrrolo[3,4-d]pyridazin-4-one is sourced from PubChem (CID 170983303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).