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

C22H20ClN5O2 — CID 24789939

IUPACN-(2-chlorophenyl)-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)propanamide
SMILESCc1nn(C(C)C(=O)Nc2ccccc2Cl)c(=O)c2nn(-c3ccccc3)c(C)c12
InChIInChI=1S/C22H20ClN5O2/c1-13-19-14(2)27(16-9-5-4-6-10-16)26-20(19)22(30)28(25-13)15(3)21(29)24-18-12-8-7-11-17(18)23/h4-12,15H,1-3H3,(H,24,29)
InChIKeyBZQVRFQSQSWAPY-UHFFFAOYSA-N
MW421.89 g/mol
LogP4.05
Rot. Bonds4

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

N-(2-chlorophenyl)-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)propanamide (PubChem CID 24789939) has the molecular formula C22H20ClN5O2 and a molecular weight of 421.89 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)propanamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)propanamide
PubChem CID24789939
Molecular FormulaC22H20ClN5O2
Molecular Weight421.89 g/mol
Exact Mass421.13
IUPAC NameN-(2-chlorophenyl)-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)propanamide
SMILESCc1nn(C(C)C(=O)Nc2ccccc2Cl)c(=O)c2nn(-c3ccccc3)c(C)c12
InChIInChI=1S/C22H20ClN5O2/c1-13-19-14(2)27(16-9-5-4-6-10-16)26-20(19)22(30)28(25-13)15(3)21(29)24-18-12-8-7-11-17(18)23/h4-12,15H,1-3H3,(H,24,29)
InChIKeyBZQVRFQSQSWAPY-UHFFFAOYSA-N
XLogP4.05
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.89
LogP ≤ 54.05
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)propanamide?
The IUPAC name of N-(2-chlorophenyl)-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)propanamide (CID 24789939) is N-(2-chlorophenyl)-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)propanamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)propanamide?
The canonical SMILES for N-(2-chlorophenyl)-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)propanamide is Cc1nn(C(C)C(=O)Nc2ccccc2Cl)c(=O)c2nn(-c3ccccc3)c(C)c12.
What is the InChIKey of N-(2-chlorophenyl)-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)propanamide?
The InChIKey is BZQVRFQSQSWAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN5O2/c1-13-19-14(2)27(16-9-5-4-6-10-16)26-20(19)22(30)28(25-13)15(3)21(29)24-18-12-8-7-11-17(18)23/h4-12,15H,1-3H3,(H,24,29).
What are the key properties of N-(2-chlorophenyl)-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)propanamide?
N-(2-chlorophenyl)-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)propanamide has a molecular weight of 421.89 g/mol, XLogP of 4.05, 4 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)propanamide is sourced from PubChem (CID 24789939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).