6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]imidazo[1,2-b]pyridazine-3-carboxamide

C18H16N8O2 — CID 146407924

IUPAC6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCC(C)n1ccc(-c2nc3occn3c2-c2ccc3ncc(C(N)=O)n3n2)n1
InChIInChI=1S/C18H16N8O2/c1-10(2)25-6-5-11(22-25)15-16(24-7-8-28-18(24)21-15)12-3-4-14-20-9-13(17(19)27)26(14)23-12/h3-10H,1-2H3,(H2,19,27)
InChIKeyAKPZHRLCPCMMIT-UHFFFAOYSA-N
MW376.38 g/mol
LogP2.18
Rot. Bonds4

About 6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]imidazo[1,2-b]pyridazine-3-carboxamide

6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 146407924) has the molecular formula C18H16N8O2 and a molecular weight of 376.38 g/mol. Its IUPAC name is 6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID146407924
Molecular FormulaC18H16N8O2
Molecular Weight376.38 g/mol
Exact Mass376.14
IUPAC Name6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCC(C)n1ccc(-c2nc3occn3c2-c2ccc3ncc(C(N)=O)n3n2)n1
InChIInChI=1S/C18H16N8O2/c1-10(2)25-6-5-11(22-25)15-16(24-7-8-28-18(24)21-15)12-3-4-14-20-9-13(17(19)27)26(14)23-12/h3-10H,1-2H3,(H2,19,27)
InChIKeyAKPZHRLCPCMMIT-UHFFFAOYSA-N
XLogP2.18
TPSA121.54 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]imidazo[1,2-b]pyridazine-3-carboxamide (CID 146407924) is 6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]imidazo[1,2-b]pyridazine-3-carboxamide is CC(C)n1ccc(-c2nc3occn3c2-c2ccc3ncc(C(N)=O)n3n2)n1.
What is the InChIKey of 6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is AKPZHRLCPCMMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N8O2/c1-10(2)25-6-5-11(22-25)15-16(24-7-8-28-18(24)21-15)12-3-4-14-20-9-13(17(19)27)26(14)23-12/h3-10H,1-2H3,(H2,19,27).
What are the key properties of 6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 376.38 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 146407924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).