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

C20H23N5O2 — CID 20919750

IUPACN-cyclopropyl-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)butanamide
SMILESCCC(C(=O)NC1CC1)n1nc(C)c2c(C)n(-c3ccccc3)nc2c1=O
InChIInChI=1S/C20H23N5O2/c1-4-16(19(26)21-14-10-11-14)25-20(27)18-17(12(2)22-25)13(3)24(23-18)15-8-6-5-7-9-15/h5-9,14,16H,4,10-11H2,1-3H3,(H,21,26)
InChIKeyWVIFQTZSBSHZGG-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.43
Rot. Bonds5

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

N-cyclopropyl-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)butanamide (PubChem CID 20919750) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is N-cyclopropyl-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)butanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)butanamide
PubChem CID20919750
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC NameN-cyclopropyl-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)butanamide
SMILESCCC(C(=O)NC1CC1)n1nc(C)c2c(C)n(-c3ccccc3)nc2c1=O
InChIInChI=1S/C20H23N5O2/c1-4-16(19(26)21-14-10-11-14)25-20(27)18-17(12(2)22-25)13(3)24(23-18)15-8-6-5-7-9-15/h5-9,14,16H,4,10-11H2,1-3H3,(H,21,26)
InChIKeyWVIFQTZSBSHZGG-UHFFFAOYSA-N
XLogP2.43
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)butanamide?
The IUPAC name of N-cyclopropyl-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)butanamide (CID 20919750) is N-cyclopropyl-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)butanamide.
What is the SMILES notation for N-cyclopropyl-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)butanamide?
The canonical SMILES for N-cyclopropyl-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)butanamide is CCC(C(=O)NC1CC1)n1nc(C)c2c(C)n(-c3ccccc3)nc2c1=O.
What is the InChIKey of N-cyclopropyl-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)butanamide?
The InChIKey is WVIFQTZSBSHZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-4-16(19(26)21-14-10-11-14)25-20(27)18-17(12(2)22-25)13(3)24(23-18)15-8-6-5-7-9-15/h5-9,14,16H,4,10-11H2,1-3H3,(H,21,26).
What are the key properties of N-cyclopropyl-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)butanamide?
N-cyclopropyl-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)butanamide has a molecular weight of 365.44 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)butanamide is sourced from PubChem (CID 20919750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).