5,7-dimethyl-3-phenyl-6-pyridin-2-ylpyrrolo[3,4-d]pyridazin-4-one

C19H16N4O — CID 166126765

IUPAC5,7-dimethyl-3-phenyl-6-pyridin-2-ylpyrrolo[3,4-d]pyridazin-4-one
SMILESCc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1-c1ccccn1
InChIInChI=1S/C19H16N4O/c1-13-16-12-21-23(15-8-4-3-5-9-15)19(24)18(16)14(2)22(13)17-10-6-7-11-20-17/h3-12H,1-2H3
InChIKeyKLUOTOMOWYARSJ-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.19
Rot. Bonds2

About 5,7-dimethyl-3-phenyl-6-pyridin-2-ylpyrrolo[3,4-d]pyridazin-4-one

5,7-dimethyl-3-phenyl-6-pyridin-2-ylpyrrolo[3,4-d]pyridazin-4-one (PubChem CID 166126765) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is 5,7-dimethyl-3-phenyl-6-pyridin-2-ylpyrrolo[3,4-d]pyridazin-4-one.

Molecular Properties

Compound Name5,7-dimethyl-3-phenyl-6-pyridin-2-ylpyrrolo[3,4-d]pyridazin-4-one
PubChem CID166126765
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC Name5,7-dimethyl-3-phenyl-6-pyridin-2-ylpyrrolo[3,4-d]pyridazin-4-one
SMILESCc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1-c1ccccn1
InChIInChI=1S/C19H16N4O/c1-13-16-12-21-23(15-8-4-3-5-9-15)19(24)18(16)14(2)22(13)17-10-6-7-11-20-17/h3-12H,1-2H3
InChIKeyKLUOTOMOWYARSJ-UHFFFAOYSA-N
XLogP3.19
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5,7-dimethyl-6-(3-piperidin-1-ylphenyl)-3-pyridin-2-ylpyrrolo[3,4-d]pyridazin-4-one
CID 170983335
6-[3-(dimethylamino)phenyl]-5,7-dimethyl-3-phenylpyrrolo[3,4-d]pyridazin-4-one
CID 170983303
2-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)acetic acid
CID 20887936
6-[3-(difluoromethoxy)-2-methylphenyl]-5,7-dimethyl-3-pyridin-2-ylpyrrolo[3,4-d]pyridazin-4-one
CID 166126534
3,5,7-trimethyl-6-phenylpyrrolo[3,4-d]pyridazin-4-one
CID 2742833
6-[4-(2-methoxyethylamino)phenyl]-5,7-dimethyl-3-phenylpyrrolo[3,4-d]pyridazin-4-one
CID 170983305
5,7-dimethyl-6-pentyl-3-phenylpyrrolo[3,4-d]pyridazin-4-one
CID 118579926
6-[3-(azetidin-1-yl)phenyl]-5,7-dimethyl-3-(2-methyl-4-pyridinyl)pyrrolo[3,4-d]pyridazin-4-one
CID 166126516
6-(3-methoxyphenyl)-3-(6-methoxy-2-pyridinyl)-5,7-dimethylpyrrolo[3,4-d]pyridazin-4-one
CID 170983377
6-[3-(azetidin-1-yl)phenyl]-3-(4-methoxy-2-pyridinyl)-5,7-dimethylpyrrolo[3,4-d]pyridazin-4-one
CID 170983373
6-[3-(azetidin-1-yl)phenyl]-5,7-dimethyl-3-(4-piperazin-1-ylphenyl)pyrrolo[3,4-d]pyridazin-4-one
CID 170983312
6-phenylpyrido[2,3-d]pyridazin-5-one
CID 102495888

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-3-phenyl-6-pyridin-2-ylpyrrolo[3,4-d]pyridazin-4-one?
The IUPAC name of 5,7-dimethyl-3-phenyl-6-pyridin-2-ylpyrrolo[3,4-d]pyridazin-4-one (CID 166126765) is 5,7-dimethyl-3-phenyl-6-pyridin-2-ylpyrrolo[3,4-d]pyridazin-4-one.
What is the SMILES notation for 5,7-dimethyl-3-phenyl-6-pyridin-2-ylpyrrolo[3,4-d]pyridazin-4-one?
The canonical SMILES for 5,7-dimethyl-3-phenyl-6-pyridin-2-ylpyrrolo[3,4-d]pyridazin-4-one is Cc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1-c1ccccn1.
What is the InChIKey of 5,7-dimethyl-3-phenyl-6-pyridin-2-ylpyrrolo[3,4-d]pyridazin-4-one?
The InChIKey is KLUOTOMOWYARSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c1-13-16-12-21-23(15-8-4-3-5-9-15)19(24)18(16)14(2)22(13)17-10-6-7-11-20-17/h3-12H,1-2H3.
What are the key properties of 5,7-dimethyl-3-phenyl-6-pyridin-2-ylpyrrolo[3,4-d]pyridazin-4-one?
5,7-dimethyl-3-phenyl-6-pyridin-2-ylpyrrolo[3,4-d]pyridazin-4-one has a molecular weight of 316.36 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-3-phenyl-6-pyridin-2-ylpyrrolo[3,4-d]pyridazin-4-one is sourced from PubChem (CID 166126765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).