1-[(6-chloro-2-cyclopropylimidazo[1,2-b]pyridazin-3-yl)methyl]-4-(2,2-difluoroethenyl)pyrrolidin-2-one

C16H15ClF2N4O — CID 15953078

IUPAC1-[(6-chloro-2-cyclopropylimidazo[1,2-b]pyridazin-3-yl)methyl]-4-(2,2-difluoroethenyl)pyrrolidin-2-one
SMILESO=C1CC(C=C(F)F)CN1Cc1c(C2CC2)nc2ccc(Cl)nn12
InChIInChI=1S/C16H15ClF2N4O/c17-12-3-4-14-20-16(10-1-2-10)11(23(14)21-12)8-22-7-9(5-13(18)19)6-15(22)24/h3-5,9-10H,1-2,6-8H2
InChIKeyXYUZGRHLUOHYNG-UHFFFAOYSA-N
MW352.77 g/mol
LogP3.39
Rot. Bonds4

About 1-[(6-chloro-2-cyclopropylimidazo[1,2-b]pyridazin-3-yl)methyl]-4-(2,2-difluoroethenyl)pyrrolidin-2-one

1-[(6-chloro-2-cyclopropylimidazo[1,2-b]pyridazin-3-yl)methyl]-4-(2,2-difluoroethenyl)pyrrolidin-2-one (PubChem CID 15953078) has the molecular formula C16H15ClF2N4O and a molecular weight of 352.77 g/mol. Its IUPAC name is 1-[(6-chloro-2-cyclopropylimidazo[1,2-b]pyridazin-3-yl)methyl]-4-(2,2-difluoroethenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(6-chloro-2-cyclopropylimidazo[1,2-b]pyridazin-3-yl)methyl]-4-(2,2-difluoroethenyl)pyrrolidin-2-one
PubChem CID15953078
Molecular FormulaC16H15ClF2N4O
Molecular Weight352.77 g/mol
Exact Mass352.09
IUPAC Name1-[(6-chloro-2-cyclopropylimidazo[1,2-b]pyridazin-3-yl)methyl]-4-(2,2-difluoroethenyl)pyrrolidin-2-one
SMILESO=C1CC(C=C(F)F)CN1Cc1c(C2CC2)nc2ccc(Cl)nn12
InChIInChI=1S/C16H15ClF2N4O/c17-12-3-4-14-20-16(10-1-2-10)11(23(14)21-12)8-22-7-9(5-13(18)19)6-15(22)24/h3-5,9-10H,1-2,6-8H2
InChIKeyXYUZGRHLUOHYNG-UHFFFAOYSA-N
XLogP3.39
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.77
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(6-chloro-2-cyclopropylimidazo[1,2-b]pyridazin-3-yl)methyl]-4-(2,2-difluoroethenyl)pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloro-2-cyclopropylimidazo[1,2-b]pyridazin-3-yl)methyl]-4-(2,2-difluoroethenyl)pyrrolidin-2-one?
The IUPAC name of 1-[(6-chloro-2-cyclopropylimidazo[1,2-b]pyridazin-3-yl)methyl]-4-(2,2-difluoroethenyl)pyrrolidin-2-one (CID 15953078) is 1-[(6-chloro-2-cyclopropylimidazo[1,2-b]pyridazin-3-yl)methyl]-4-(2,2-difluoroethenyl)pyrrolidin-2-one.
What is the SMILES notation for 1-[(6-chloro-2-cyclopropylimidazo[1,2-b]pyridazin-3-yl)methyl]-4-(2,2-difluoroethenyl)pyrrolidin-2-one?
The canonical SMILES for 1-[(6-chloro-2-cyclopropylimidazo[1,2-b]pyridazin-3-yl)methyl]-4-(2,2-difluoroethenyl)pyrrolidin-2-one is O=C1CC(C=C(F)F)CN1Cc1c(C2CC2)nc2ccc(Cl)nn12.
What is the InChIKey of 1-[(6-chloro-2-cyclopropylimidazo[1,2-b]pyridazin-3-yl)methyl]-4-(2,2-difluoroethenyl)pyrrolidin-2-one?
The InChIKey is XYUZGRHLUOHYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF2N4O/c17-12-3-4-14-20-16(10-1-2-10)11(23(14)21-12)8-22-7-9(5-13(18)19)6-15(22)24/h3-5,9-10H,1-2,6-8H2.
What are the key properties of 1-[(6-chloro-2-cyclopropylimidazo[1,2-b]pyridazin-3-yl)methyl]-4-(2,2-difluoroethenyl)pyrrolidin-2-one?
1-[(6-chloro-2-cyclopropylimidazo[1,2-b]pyridazin-3-yl)methyl]-4-(2,2-difluoroethenyl)pyrrolidin-2-one has a molecular weight of 352.77 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-chloro-2-cyclopropylimidazo[1,2-b]pyridazin-3-yl)methyl]-4-(2,2-difluoroethenyl)pyrrolidin-2-one is sourced from PubChem (CID 15953078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).