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

C24H25N5O3 — CID 20919696

IUPAC2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)-N-[(2-methoxyphenyl)methyl]propanamide
SMILESCOc1ccccc1CNC(=O)C(C)n1nc(C)c2c(C)n(-c3ccccc3)nc2c1=O
InChIInChI=1S/C24H25N5O3/c1-15-21-16(2)28(19-11-6-5-7-12-19)27-22(21)24(31)29(26-15)17(3)23(30)25-14-18-10-8-9-13-20(18)32-4/h5-13,17H,14H2,1-4H3,(H,25,30)
InChIKeyAPACPFZGMLLIPR-UHFFFAOYSA-N
MW431.50 g/mol
LogP3.09
Rot. Bonds6

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

2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)-N-[(2-methoxyphenyl)methyl]propanamide (PubChem CID 20919696) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is 2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)-N-[(2-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)-N-[(2-methoxyphenyl)methyl]propanamide
PubChem CID20919696
Molecular FormulaC24H25N5O3
Molecular Weight431.50 g/mol
Exact Mass431.20
IUPAC Name2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)-N-[(2-methoxyphenyl)methyl]propanamide
SMILESCOc1ccccc1CNC(=O)C(C)n1nc(C)c2c(C)n(-c3ccccc3)nc2c1=O
InChIInChI=1S/C24H25N5O3/c1-15-21-16(2)28(19-11-6-5-7-12-19)27-22(21)24(31)29(26-15)17(3)23(30)25-14-18-10-8-9-13-20(18)32-4/h5-13,17H,14H2,1-4H3,(H,25,30)
InChIKeyAPACPFZGMLLIPR-UHFFFAOYSA-N
XLogP3.09
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)-N-[(2-methoxyphenyl)methyl]propanamide?
The IUPAC name of 2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)-N-[(2-methoxyphenyl)methyl]propanamide (CID 20919696) is 2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)-N-[(2-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for 2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)-N-[(2-methoxyphenyl)methyl]propanamide?
The canonical SMILES for 2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)-N-[(2-methoxyphenyl)methyl]propanamide is COc1ccccc1CNC(=O)C(C)n1nc(C)c2c(C)n(-c3ccccc3)nc2c1=O.
What is the InChIKey of 2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)-N-[(2-methoxyphenyl)methyl]propanamide?
The InChIKey is APACPFZGMLLIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3/c1-15-21-16(2)28(19-11-6-5-7-12-19)27-22(21)24(31)29(26-15)17(3)23(30)25-14-18-10-8-9-13-20(18)32-4/h5-13,17H,14H2,1-4H3,(H,25,30).
What are the key properties of 2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)-N-[(2-methoxyphenyl)methyl]propanamide?
2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)-N-[(2-methoxyphenyl)methyl]propanamide has a molecular weight of 431.50 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)-N-[(2-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 20919696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).