5-[6-ethoxy-7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-N-methylpyridine-3-carboxamide

C19H19N7O2 — CID 159959598

IUPAC5-[6-ethoxy-7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-N-methylpyridine-3-carboxamide
SMILESCCOc1nn2c(-c3cncc(C(=O)NC)c3)cnc2cc1-c1cnn(C)c1
InChIInChI=1S/C19H19N7O2/c1-4-28-19-15(14-9-23-25(3)11-14)6-17-22-10-16(26(17)24-19)12-5-13(8-21-7-12)18(27)20-2/h5-11H,4H2,1-3H3,(H,20,27)
InChIKeyODDSHPMWZALCDN-UHFFFAOYSA-N
MW377.41 g/mol
LogP1.95
Rot. Bonds5

About 5-[6-ethoxy-7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-N-methylpyridine-3-carboxamide

5-[6-ethoxy-7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-N-methylpyridine-3-carboxamide (PubChem CID 159959598) has the molecular formula C19H19N7O2 and a molecular weight of 377.41 g/mol. Its IUPAC name is 5-[6-ethoxy-7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-[6-ethoxy-7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-N-methylpyridine-3-carboxamide
PubChem CID159959598
Molecular FormulaC19H19N7O2
Molecular Weight377.41 g/mol
Exact Mass377.16
IUPAC Name5-[6-ethoxy-7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-N-methylpyridine-3-carboxamide
SMILESCCOc1nn2c(-c3cncc(C(=O)NC)c3)cnc2cc1-c1cnn(C)c1
InChIInChI=1S/C19H19N7O2/c1-4-28-19-15(14-9-23-25(3)11-14)6-17-22-10-16(26(17)24-19)12-5-13(8-21-7-12)18(27)20-2/h5-11H,4H2,1-3H3,(H,20,27)
InChIKeyODDSHPMWZALCDN-UHFFFAOYSA-N
XLogP1.95
TPSA99.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[6-ethoxy-7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-N-methylpyridine-3-carboxamide?
The IUPAC name of 5-[6-ethoxy-7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-N-methylpyridine-3-carboxamide (CID 159959598) is 5-[6-ethoxy-7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-[6-ethoxy-7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 5-[6-ethoxy-7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-N-methylpyridine-3-carboxamide is CCOc1nn2c(-c3cncc(C(=O)NC)c3)cnc2cc1-c1cnn(C)c1.
What is the InChIKey of 5-[6-ethoxy-7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-N-methylpyridine-3-carboxamide?
The InChIKey is ODDSHPMWZALCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O2/c1-4-28-19-15(14-9-23-25(3)11-14)6-17-22-10-16(26(17)24-19)12-5-13(8-21-7-12)18(27)20-2/h5-11H,4H2,1-3H3,(H,20,27).
What are the key properties of 5-[6-ethoxy-7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-N-methylpyridine-3-carboxamide?
5-[6-ethoxy-7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-N-methylpyridine-3-carboxamide has a molecular weight of 377.41 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-ethoxy-7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 159959598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).