N-cyclopropyl-2-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)propanamide

C20H22N4O2 — CID 20894045

IUPACN-cyclopropyl-2-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)propanamide
SMILESCc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1C(C)C(=O)NC1CC1
InChIInChI=1S/C20H22N4O2/c1-12-17-11-21-24(16-7-5-4-6-8-16)20(26)18(17)13(2)23(12)14(3)19(25)22-15-9-10-15/h4-8,11,14-15H,9-10H2,1-3H3,(H,22,25)
InChIKeyZYSPILRAJMUZIW-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.64
Rot. Bonds4

About N-cyclopropyl-2-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)propanamide

N-cyclopropyl-2-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)propanamide (PubChem CID 20894045) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-cyclopropyl-2-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)propanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)propanamide
PubChem CID20894045
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-cyclopropyl-2-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)propanamide
SMILESCc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1C(C)C(=O)NC1CC1
InChIInChI=1S/C20H22N4O2/c1-12-17-11-21-24(16-7-5-4-6-8-16)20(26)18(17)13(2)23(12)14(3)19(25)22-15-9-10-15/h4-8,11,14-15H,9-10H2,1-3H3,(H,22,25)
InChIKeyZYSPILRAJMUZIW-UHFFFAOYSA-N
XLogP2.64
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)propanamide?
The IUPAC name of N-cyclopropyl-2-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)propanamide (CID 20894045) is N-cyclopropyl-2-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)propanamide.
What is the SMILES notation for N-cyclopropyl-2-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)propanamide?
The canonical SMILES for N-cyclopropyl-2-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)propanamide is Cc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1C(C)C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)propanamide?
The InChIKey is ZYSPILRAJMUZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-12-17-11-21-24(16-7-5-4-6-8-16)20(26)18(17)13(2)23(12)14(3)19(25)22-15-9-10-15/h4-8,11,14-15H,9-10H2,1-3H3,(H,22,25).
What are the key properties of N-cyclopropyl-2-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)propanamide?
N-cyclopropyl-2-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)propanamide has a molecular weight of 350.42 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)propanamide is sourced from PubChem (CID 20894045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).