3,4-difluoro-N-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide

C21H16F2N4O3 — CID 16824878

IUPAC3,4-difluoro-N-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide
SMILESCOc1ccc2nc(-c3ccc(OC)c(NC(=O)c4ccc(F)c(F)c4)c3)cn2n1
InChIInChI=1S/C21H16F2N4O3/c1-29-18-6-4-12(17-11-27-19(24-17)7-8-20(26-27)30-2)10-16(18)25-21(28)13-3-5-14(22)15(23)9-13/h3-11H,1-2H3,(H,25,28)
InChIKeyKMGGCVZYJRNYAM-UHFFFAOYSA-N
MW410.38 g/mol
LogP3.94
Rot. Bonds5

About 3,4-difluoro-N-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide

3,4-difluoro-N-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide (PubChem CID 16824878) has the molecular formula C21H16F2N4O3 and a molecular weight of 410.38 g/mol. Its IUPAC name is 3,4-difluoro-N-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide
PubChem CID16824878
Molecular FormulaC21H16F2N4O3
Molecular Weight410.38 g/mol
Exact Mass410.12
IUPAC Name3,4-difluoro-N-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide
SMILESCOc1ccc2nc(-c3ccc(OC)c(NC(=O)c4ccc(F)c(F)c4)c3)cn2n1
InChIInChI=1S/C21H16F2N4O3/c1-29-18-6-4-12(17-11-27-19(24-17)7-8-20(26-27)30-2)10-16(18)25-21(28)13-3-5-14(22)15(23)9-13/h3-11H,1-2H3,(H,25,28)
InChIKeyKMGGCVZYJRNYAM-UHFFFAOYSA-N
XLogP3.94
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.38
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide?
The IUPAC name of 3,4-difluoro-N-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide (CID 16824878) is 3,4-difluoro-N-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide is COc1ccc2nc(-c3ccc(OC)c(NC(=O)c4ccc(F)c(F)c4)c3)cn2n1.
What is the InChIKey of 3,4-difluoro-N-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide?
The InChIKey is KMGGCVZYJRNYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N4O3/c1-29-18-6-4-12(17-11-27-19(24-17)7-8-20(26-27)30-2)10-16(18)25-21(28)13-3-5-14(22)15(23)9-13/h3-11H,1-2H3,(H,25,28).
What are the key properties of 3,4-difluoro-N-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide?
3,4-difluoro-N-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide has a molecular weight of 410.38 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide is sourced from PubChem (CID 16824878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).