N-(azetidin-3-yl)-6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzoxazole-2-carboxamide

C19H17FN6O2 — CID 170593682

IUPACN-(azetidin-3-yl)-6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzoxazole-2-carboxamide
SMILESCc1cn2nc(-c3cc(F)c4nc(C(=O)NC5CNC5)oc4c3)cc(C)c2n1
InChIInChI=1S/C19H17FN6O2/c1-9-3-14(25-26-8-10(2)22-17(9)26)11-4-13(20)16-15(5-11)28-19(24-16)18(27)23-12-6-21-7-12/h3-5,8,12,21H,6-7H2,1-2H3,(H,23,27)
InChIKeyVEKYLGNASIYLFN-UHFFFAOYSA-N
MW380.38 g/mol
LogP2.00
Rot. Bonds3

About N-(azetidin-3-yl)-6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzoxazole-2-carboxamide

N-(azetidin-3-yl)-6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzoxazole-2-carboxamide (PubChem CID 170593682) has the molecular formula C19H17FN6O2 and a molecular weight of 380.38 g/mol. Its IUPAC name is N-(azetidin-3-yl)-6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzoxazole-2-carboxamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzoxazole-2-carboxamide
PubChem CID170593682
Molecular FormulaC19H17FN6O2
Molecular Weight380.38 g/mol
Exact Mass380.14
IUPAC NameN-(azetidin-3-yl)-6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzoxazole-2-carboxamide
SMILESCc1cn2nc(-c3cc(F)c4nc(C(=O)NC5CNC5)oc4c3)cc(C)c2n1
InChIInChI=1S/C19H17FN6O2/c1-9-3-14(25-26-8-10(2)22-17(9)26)11-4-13(20)16-15(5-11)28-19(24-16)18(27)23-12-6-21-7-12/h3-5,8,12,21H,6-7H2,1-2H3,(H,23,27)
InChIKeyVEKYLGNASIYLFN-UHFFFAOYSA-N
XLogP2.00
TPSA97.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzoxazole-2-carboxamide?
The IUPAC name of N-(azetidin-3-yl)-6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzoxazole-2-carboxamide (CID 170593682) is N-(azetidin-3-yl)-6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzoxazole-2-carboxamide.
What is the SMILES notation for N-(azetidin-3-yl)-6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzoxazole-2-carboxamide?
The canonical SMILES for N-(azetidin-3-yl)-6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzoxazole-2-carboxamide is Cc1cn2nc(-c3cc(F)c4nc(C(=O)NC5CNC5)oc4c3)cc(C)c2n1.
What is the InChIKey of N-(azetidin-3-yl)-6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzoxazole-2-carboxamide?
The InChIKey is VEKYLGNASIYLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN6O2/c1-9-3-14(25-26-8-10(2)22-17(9)26)11-4-13(20)16-15(5-11)28-19(24-16)18(27)23-12-6-21-7-12/h3-5,8,12,21H,6-7H2,1-2H3,(H,23,27).
What are the key properties of N-(azetidin-3-yl)-6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzoxazole-2-carboxamide?
N-(azetidin-3-yl)-6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzoxazole-2-carboxamide has a molecular weight of 380.38 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzoxazole-2-carboxamide is sourced from PubChem (CID 170593682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).