[(3R)-3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone

C15H16N6O2 — CID 129344896

IUPAC[(3R)-3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CC[C@@H](Nc3ccc4nccn4n3)C2)no1
InChIInChI=1S/C15H16N6O2/c1-10-8-12(19-23-10)15(22)20-6-4-11(9-20)17-13-2-3-14-16-5-7-21(14)18-13/h2-3,5,7-8,11H,4,6,9H2,1H3,(H,17,18)/t11-/m1/s1
InChIKeyGLZVCLUCLHUGTE-LLVKDONJSA-N
MW312.33 g/mol
LogP1.35
Rot. Bonds3

About [(3R)-3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone

[(3R)-3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone (PubChem CID 129344896) has the molecular formula C15H16N6O2 and a molecular weight of 312.33 g/mol. Its IUPAC name is [(3R)-3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
PubChem CID129344896
Molecular FormulaC15H16N6O2
Molecular Weight312.33 g/mol
Exact Mass312.13
IUPAC Name[(3R)-3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CC[C@@H](Nc3ccc4nccn4n3)C2)no1
InChIInChI=1S/C15H16N6O2/c1-10-8-12(19-23-10)15(22)20-6-4-11(9-20)17-13-2-3-14-16-5-7-21(14)18-13/h2-3,5,7-8,11H,4,6,9H2,1H3,(H,17,18)/t11-/m1/s1
InChIKeyGLZVCLUCLHUGTE-LLVKDONJSA-N
XLogP1.35
TPSA88.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The IUPAC name of [(3R)-3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone (CID 129344896) is [(3R)-3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [(3R)-3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for [(3R)-3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone is Cc1cc(C(=O)N2CC[C@@H](Nc3ccc4nccn4n3)C2)no1.
What is the InChIKey of [(3R)-3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The InChIKey is GLZVCLUCLHUGTE-LLVKDONJSA-N. The full InChI is InChI=1S/C15H16N6O2/c1-10-8-12(19-23-10)15(22)20-6-4-11(9-20)17-13-2-3-14-16-5-7-21(14)18-13/h2-3,5,7-8,11H,4,6,9H2,1H3,(H,17,18)/t11-/m1/s1.
What are the key properties of [(3R)-3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
[(3R)-3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone has a molecular weight of 312.33 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 129344896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).