N-methyl-3-[6-(1-methyl-2-oxopyrrolidin-3-yl)oxy-7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]benzamide

C23H23N7O3 — CID 159170191

IUPACN-methyl-3-[6-(1-methyl-2-oxopyrrolidin-3-yl)oxy-7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]benzamide
SMILESCNC(=O)c1cccc(-c2cnc3cc(-c4cnn(C)c4)c(OC4CCN(C)C4=O)nn23)c1
InChIInChI=1S/C23H23N7O3/c1-24-21(31)15-6-4-5-14(9-15)18-12-25-20-10-17(16-11-26-29(3)13-16)22(27-30(18)20)33-19-7-8-28(2)23(19)32/h4-6,9-13,19H,7-8H2,1-3H3,(H,24,31)
InChIKeyKLOZBLWHKQFUBI-UHFFFAOYSA-N
MW445.48 g/mol
LogP1.77
Rot. Bonds5

About N-methyl-3-[6-(1-methyl-2-oxopyrrolidin-3-yl)oxy-7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]benzamide

N-methyl-3-[6-(1-methyl-2-oxopyrrolidin-3-yl)oxy-7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]benzamide (PubChem CID 159170191) has the molecular formula C23H23N7O3 and a molecular weight of 445.48 g/mol. Its IUPAC name is N-methyl-3-[6-(1-methyl-2-oxopyrrolidin-3-yl)oxy-7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]benzamide.

Molecular Properties

Compound NameN-methyl-3-[6-(1-methyl-2-oxopyrrolidin-3-yl)oxy-7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]benzamide
PubChem CID159170191
Molecular FormulaC23H23N7O3
Molecular Weight445.48 g/mol
Exact Mass445.19
IUPAC NameN-methyl-3-[6-(1-methyl-2-oxopyrrolidin-3-yl)oxy-7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]benzamide
SMILESCNC(=O)c1cccc(-c2cnc3cc(-c4cnn(C)c4)c(OC4CCN(C)C4=O)nn23)c1
InChIInChI=1S/C23H23N7O3/c1-24-21(31)15-6-4-5-14(9-15)18-12-25-20-10-17(16-11-26-29(3)13-16)22(27-30(18)20)33-19-7-8-28(2)23(19)32/h4-6,9-13,19H,7-8H2,1-3H3,(H,24,31)
InChIKeyKLOZBLWHKQFUBI-UHFFFAOYSA-N
XLogP1.77
TPSA106.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-methyl-3-[6-(1-methyl-2-oxopyrrolidin-3-yl)oxy-7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[6-(1-methyl-2-oxopyrrolidin-3-yl)oxy-7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]benzamide?
The IUPAC name of N-methyl-3-[6-(1-methyl-2-oxopyrrolidin-3-yl)oxy-7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]benzamide (CID 159170191) is N-methyl-3-[6-(1-methyl-2-oxopyrrolidin-3-yl)oxy-7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]benzamide.
What is the SMILES notation for N-methyl-3-[6-(1-methyl-2-oxopyrrolidin-3-yl)oxy-7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]benzamide?
The canonical SMILES for N-methyl-3-[6-(1-methyl-2-oxopyrrolidin-3-yl)oxy-7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]benzamide is CNC(=O)c1cccc(-c2cnc3cc(-c4cnn(C)c4)c(OC4CCN(C)C4=O)nn23)c1.
What is the InChIKey of N-methyl-3-[6-(1-methyl-2-oxopyrrolidin-3-yl)oxy-7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]benzamide?
The InChIKey is KLOZBLWHKQFUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O3/c1-24-21(31)15-6-4-5-14(9-15)18-12-25-20-10-17(16-11-26-29(3)13-16)22(27-30(18)20)33-19-7-8-28(2)23(19)32/h4-6,9-13,19H,7-8H2,1-3H3,(H,24,31).
What are the key properties of N-methyl-3-[6-(1-methyl-2-oxopyrrolidin-3-yl)oxy-7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]benzamide?
N-methyl-3-[6-(1-methyl-2-oxopyrrolidin-3-yl)oxy-7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]benzamide has a molecular weight of 445.48 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[6-(1-methyl-2-oxopyrrolidin-3-yl)oxy-7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]benzamide is sourced from PubChem (CID 159170191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).