5,7-dimethyl-6-(3-piperidin-1-ylphenyl)-3-pyridin-2-ylpyrrolo[3,4-d]pyridazin-4-one

C24H25N5O — CID 170983335

IUPAC5,7-dimethyl-6-(3-piperidin-1-ylphenyl)-3-pyridin-2-ylpyrrolo[3,4-d]pyridazin-4-one
SMILESCc1c2cnn(-c3ccccn3)c(=O)c2c(C)n1-c1cccc(N2CCCCC2)c1
InChIInChI=1S/C24H25N5O/c1-17-21-16-26-29(22-11-4-5-12-25-22)24(30)23(21)18(2)28(17)20-10-8-9-19(15-20)27-13-6-3-7-14-27/h4-5,8-12,15-16H,3,6-7,13-14H2,1-2H3
InChIKeyCMSOHAHSFWFEFY-UHFFFAOYSA-N
MW399.50 g/mol
LogP4.18
Rot. Bonds3

About 5,7-dimethyl-6-(3-piperidin-1-ylphenyl)-3-pyridin-2-ylpyrrolo[3,4-d]pyridazin-4-one

5,7-dimethyl-6-(3-piperidin-1-ylphenyl)-3-pyridin-2-ylpyrrolo[3,4-d]pyridazin-4-one (PubChem CID 170983335) has the molecular formula C24H25N5O and a molecular weight of 399.50 g/mol. Its IUPAC name is 5,7-dimethyl-6-(3-piperidin-1-ylphenyl)-3-pyridin-2-ylpyrrolo[3,4-d]pyridazin-4-one.

Molecular Properties

Compound Name5,7-dimethyl-6-(3-piperidin-1-ylphenyl)-3-pyridin-2-ylpyrrolo[3,4-d]pyridazin-4-one
PubChem CID170983335
Molecular FormulaC24H25N5O
Molecular Weight399.50 g/mol
Exact Mass399.21
IUPAC Name5,7-dimethyl-6-(3-piperidin-1-ylphenyl)-3-pyridin-2-ylpyrrolo[3,4-d]pyridazin-4-one
SMILESCc1c2cnn(-c3ccccn3)c(=O)c2c(C)n1-c1cccc(N2CCCCC2)c1
InChIInChI=1S/C24H25N5O/c1-17-21-16-26-29(22-11-4-5-12-25-22)24(30)23(21)18(2)28(17)20-10-8-9-19(15-20)27-13-6-3-7-14-27/h4-5,8-12,15-16H,3,6-7,13-14H2,1-2H3
InChIKeyCMSOHAHSFWFEFY-UHFFFAOYSA-N
XLogP4.18
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5,7-dimethyl-6-(3-piperidin-1-ylphenyl)-3-pyridin-2-ylpyrrolo[3,4-d]pyridazin-4-one with MolForge

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Related Compounds

5,7-dimethyl-6-[4-oxo-4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-2-phenyl-2,6-dihydro-1H-pyrrolo[3,4-d]pyridazin-1-one
CID 3237600
N-[(E)-(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methylideneamino]pyridine-4-carboxamide
CID 6893258
[4-(3,5-Dimethylpyrazol-1-yl)phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 8934323
(1-Benzyl-3-phenylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 9439395
[1-Benzyl-3-(4-methylphenyl)pyrazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 16349368
7-Ethyl-3,4-dimethyl-1-(3-methylphenyl)-5-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]pyrazolo[5,4-b]pyridin-6-one
CID 20961335
2-amino-5-(1-benzylpyrazol-4-yl)-N-(2-methyl-4-pyridinyl)pyridine-3-carboxamide
CID 71061140
2-[5-benzyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one
CID 137049047
6-methyl-1-phenyl-5-(2-pyridinyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 2854000
[3-(4-Methylphenyl)-1-phenyl-4-pyrazolyl]-[4-(2-pyridinyl)-1-piperazinyl]methanone
CID 3259084
(1,3-Diphenylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 4270515
(3-Methyl-1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 16011907

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-6-(3-piperidin-1-ylphenyl)-3-pyridin-2-ylpyrrolo[3,4-d]pyridazin-4-one?
The IUPAC name of 5,7-dimethyl-6-(3-piperidin-1-ylphenyl)-3-pyridin-2-ylpyrrolo[3,4-d]pyridazin-4-one (CID 170983335) is 5,7-dimethyl-6-(3-piperidin-1-ylphenyl)-3-pyridin-2-ylpyrrolo[3,4-d]pyridazin-4-one.
What is the SMILES notation for 5,7-dimethyl-6-(3-piperidin-1-ylphenyl)-3-pyridin-2-ylpyrrolo[3,4-d]pyridazin-4-one?
The canonical SMILES for 5,7-dimethyl-6-(3-piperidin-1-ylphenyl)-3-pyridin-2-ylpyrrolo[3,4-d]pyridazin-4-one is Cc1c2cnn(-c3ccccn3)c(=O)c2c(C)n1-c1cccc(N2CCCCC2)c1.
What is the InChIKey of 5,7-dimethyl-6-(3-piperidin-1-ylphenyl)-3-pyridin-2-ylpyrrolo[3,4-d]pyridazin-4-one?
The InChIKey is CMSOHAHSFWFEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O/c1-17-21-16-26-29(22-11-4-5-12-25-22)24(30)23(21)18(2)28(17)20-10-8-9-19(15-20)27-13-6-3-7-14-27/h4-5,8-12,15-16H,3,6-7,13-14H2,1-2H3.
What are the key properties of 5,7-dimethyl-6-(3-piperidin-1-ylphenyl)-3-pyridin-2-ylpyrrolo[3,4-d]pyridazin-4-one?
5,7-dimethyl-6-(3-piperidin-1-ylphenyl)-3-pyridin-2-ylpyrrolo[3,4-d]pyridazin-4-one has a molecular weight of 399.50 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-6-(3-piperidin-1-ylphenyl)-3-pyridin-2-ylpyrrolo[3,4-d]pyridazin-4-one is sourced from PubChem (CID 170983335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).