2-[6-[(2-chlorophenyl)methyl]-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]-N-(2,4-difluorophenyl)acetamide

C23H19ClF2N4O2 — CID 23601610

IUPAC2-[6-[(2-chlorophenyl)methyl]-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]-N-(2,4-difluorophenyl)acetamide
SMILESCc1c2cnn(CC(=O)Nc3ccc(F)cc3F)c(=O)c2c(C)n1Cc1ccccc1Cl
InChIInChI=1S/C23H19ClF2N4O2/c1-13-17-10-27-30(12-21(31)28-20-8-7-16(25)9-19(20)26)23(32)22(17)14(2)29(13)11-15-5-3-4-6-18(15)24/h3-10H,11-12H2,1-2H3,(H,28,31)
InChIKeyIUCRJAGANLZPEE-UHFFFAOYSA-N
MW456.88 g/mol
LogP4.43
Rot. Bonds5

About 2-[6-[(2-chlorophenyl)methyl]-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]-N-(2,4-difluorophenyl)acetamide

2-[6-[(2-chlorophenyl)methyl]-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]-N-(2,4-difluorophenyl)acetamide (PubChem CID 23601610) has the molecular formula C23H19ClF2N4O2 and a molecular weight of 456.88 g/mol. Its IUPAC name is 2-[6-[(2-chlorophenyl)methyl]-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]-N-(2,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[6-[(2-chlorophenyl)methyl]-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]-N-(2,4-difluorophenyl)acetamide
PubChem CID23601610
Molecular FormulaC23H19ClF2N4O2
Molecular Weight456.88 g/mol
Exact Mass456.12
IUPAC Name2-[6-[(2-chlorophenyl)methyl]-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]-N-(2,4-difluorophenyl)acetamide
SMILESCc1c2cnn(CC(=O)Nc3ccc(F)cc3F)c(=O)c2c(C)n1Cc1ccccc1Cl
InChIInChI=1S/C23H19ClF2N4O2/c1-13-17-10-27-30(12-21(31)28-20-8-7-16(25)9-19(20)26)23(32)22(17)14(2)29(13)11-15-5-3-4-6-18(15)24/h3-10H,11-12H2,1-2H3,(H,28,31)
InChIKeyIUCRJAGANLZPEE-UHFFFAOYSA-N
XLogP4.43
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.88
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluoro-2-methylphenyl)-2-[6-[(2-fluorophenyl)methyl]-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]acetamide
CID 23601570
2-[6-[(2-chlorophenyl)methyl]-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]-N-(3,5-dimethylphenyl)acetamide
CID 23601635
N-(3-chloro-2-methylphenyl)-2-[6-[(4-fluorophenyl)methyl]-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]acetamide
CID 23601447
N-[4-(diethylamino)-2-methylphenyl]-2-[6-[(2-fluorophenyl)methyl]-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]acetamide
CID 12004865
2-[6-[(2-fluorophenyl)methyl]-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 23601507
2-[6-[(2-fluorophenyl)methyl]-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]-N-methylacetamide
CID 23601574
2-[6-[(2-chlorophenyl)methyl]-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]-N-(3-phenylpropyl)acetamide
CID 23601624
N-(4-fluorophenyl)-2-[6-[(4-fluorophenyl)methyl]-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]acetamide
CID 23601439
N-tert-butyl-2-[6-[(2-fluorophenyl)methyl]-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]acetamide
CID 23601514
2-[6-[(2-chlorophenyl)methyl]-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]acetamide
CID 92669044
2-[6-[(2-fluorophenyl)methyl]-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 23601530
2-[6-[(2-fluorophenyl)methyl]-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]-N-(2-methoxyethyl)acetamide
CID 23601551

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(2-chlorophenyl)methyl]-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]-N-(2,4-difluorophenyl)acetamide?
The IUPAC name of 2-[6-[(2-chlorophenyl)methyl]-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]-N-(2,4-difluorophenyl)acetamide (CID 23601610) is 2-[6-[(2-chlorophenyl)methyl]-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]-N-(2,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-[6-[(2-chlorophenyl)methyl]-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]-N-(2,4-difluorophenyl)acetamide?
The canonical SMILES for 2-[6-[(2-chlorophenyl)methyl]-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]-N-(2,4-difluorophenyl)acetamide is Cc1c2cnn(CC(=O)Nc3ccc(F)cc3F)c(=O)c2c(C)n1Cc1ccccc1Cl.
What is the InChIKey of 2-[6-[(2-chlorophenyl)methyl]-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]-N-(2,4-difluorophenyl)acetamide?
The InChIKey is IUCRJAGANLZPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClF2N4O2/c1-13-17-10-27-30(12-21(31)28-20-8-7-16(25)9-19(20)26)23(32)22(17)14(2)29(13)11-15-5-3-4-6-18(15)24/h3-10H,11-12H2,1-2H3,(H,28,31).
What are the key properties of 2-[6-[(2-chlorophenyl)methyl]-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]-N-(2,4-difluorophenyl)acetamide?
2-[6-[(2-chlorophenyl)methyl]-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]-N-(2,4-difluorophenyl)acetamide has a molecular weight of 456.88 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(2-chlorophenyl)methyl]-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]-N-(2,4-difluorophenyl)acetamide is sourced from PubChem (CID 23601610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).