N-(2-chlorophenyl)-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)butanamide

C23H22ClN5O2 — CID 20919741

IUPACN-(2-chlorophenyl)-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)butanamide
SMILESCCC(C(=O)Nc1ccccc1Cl)n1nc(C)c2c(C)n(-c3ccccc3)nc2c1=O
InChIInChI=1S/C23H22ClN5O2/c1-4-19(22(30)25-18-13-9-8-12-17(18)24)29-23(31)21-20(14(2)26-29)15(3)28(27-21)16-10-6-5-7-11-16/h5-13,19H,4H2,1-3H3,(H,25,30)
InChIKeyIGPFTVHBNQNCJX-UHFFFAOYSA-N
MW435.92 g/mol
LogP4.44
Rot. Bonds5

About N-(2-chlorophenyl)-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)butanamide

N-(2-chlorophenyl)-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)butanamide (PubChem CID 20919741) has the molecular formula C23H22ClN5O2 and a molecular weight of 435.92 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)butanamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)butanamide
PubChem CID20919741
Molecular FormulaC23H22ClN5O2
Molecular Weight435.92 g/mol
Exact Mass435.15
IUPAC NameN-(2-chlorophenyl)-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)butanamide
SMILESCCC(C(=O)Nc1ccccc1Cl)n1nc(C)c2c(C)n(-c3ccccc3)nc2c1=O
InChIInChI=1S/C23H22ClN5O2/c1-4-19(22(30)25-18-13-9-8-12-17(18)24)29-23(31)21-20(14(2)26-29)15(3)28(27-21)16-10-6-5-7-11-16/h5-13,19H,4H2,1-3H3,(H,25,30)
InChIKeyIGPFTVHBNQNCJX-UHFFFAOYSA-N
XLogP4.44
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.92
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)butanamide?
The IUPAC name of N-(2-chlorophenyl)-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)butanamide (CID 20919741) is N-(2-chlorophenyl)-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)butanamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)butanamide?
The canonical SMILES for N-(2-chlorophenyl)-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)butanamide is CCC(C(=O)Nc1ccccc1Cl)n1nc(C)c2c(C)n(-c3ccccc3)nc2c1=O.
What is the InChIKey of N-(2-chlorophenyl)-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)butanamide?
The InChIKey is IGPFTVHBNQNCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN5O2/c1-4-19(22(30)25-18-13-9-8-12-17(18)24)29-23(31)21-20(14(2)26-29)15(3)28(27-21)16-10-6-5-7-11-16/h5-13,19H,4H2,1-3H3,(H,25,30).
What are the key properties of N-(2-chlorophenyl)-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)butanamide?
N-(2-chlorophenyl)-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)butanamide has a molecular weight of 435.92 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)butanamide is sourced from PubChem (CID 20919741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).