3-[6-methoxy-7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-N-methylbenzamide

C19H18N6O2 — CID 161061205

IUPAC3-[6-methoxy-7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(-c2cnc3cc(-c4cnn(C)c4)c(OC)nn23)c1
InChIInChI=1S/C19H18N6O2/c1-20-18(26)13-6-4-5-12(7-13)16-10-21-17-8-15(14-9-22-24(2)11-14)19(27-3)23-25(16)17/h4-11H,1-3H3,(H,20,26)
InChIKeyUDKMUAXCBDODJH-UHFFFAOYSA-N
MW362.39 g/mol
LogP2.16
Rot. Bonds4

About 3-[6-methoxy-7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-N-methylbenzamide

3-[6-methoxy-7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-N-methylbenzamide (PubChem CID 161061205) has the molecular formula C19H18N6O2 and a molecular weight of 362.39 g/mol. Its IUPAC name is 3-[6-methoxy-7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[6-methoxy-7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-N-methylbenzamide
PubChem CID161061205
Molecular FormulaC19H18N6O2
Molecular Weight362.39 g/mol
Exact Mass362.15
IUPAC Name3-[6-methoxy-7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(-c2cnc3cc(-c4cnn(C)c4)c(OC)nn23)c1
InChIInChI=1S/C19H18N6O2/c1-20-18(26)13-6-4-5-12(7-13)16-10-21-17-8-15(14-9-22-24(2)11-14)19(27-3)23-25(16)17/h4-11H,1-3H3,(H,20,26)
InChIKeyUDKMUAXCBDODJH-UHFFFAOYSA-N
XLogP2.16
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[6-methoxy-7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-N-methylbenzamide?
The IUPAC name of 3-[6-methoxy-7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-N-methylbenzamide (CID 161061205) is 3-[6-methoxy-7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-N-methylbenzamide.
What is the SMILES notation for 3-[6-methoxy-7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-N-methylbenzamide?
The canonical SMILES for 3-[6-methoxy-7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-N-methylbenzamide is CNC(=O)c1cccc(-c2cnc3cc(-c4cnn(C)c4)c(OC)nn23)c1.
What is the InChIKey of 3-[6-methoxy-7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-N-methylbenzamide?
The InChIKey is UDKMUAXCBDODJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O2/c1-20-18(26)13-6-4-5-12(7-13)16-10-21-17-8-15(14-9-22-24(2)11-14)19(27-3)23-25(16)17/h4-11H,1-3H3,(H,20,26).
What are the key properties of 3-[6-methoxy-7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-N-methylbenzamide?
3-[6-methoxy-7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-N-methylbenzamide has a molecular weight of 362.39 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-methoxy-7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-N-methylbenzamide is sourced from PubChem (CID 161061205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).