1-[[2-cyclopropyl-6-(propylamino)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-(2,2-difluoroethenyl)pyrrolidin-2-one

C19H23F2N5O — CID 15951699

IUPAC1-[[2-cyclopropyl-6-(propylamino)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-(2,2-difluoroethenyl)pyrrolidin-2-one
SMILESCCCNc1ccc2nc(C3CC3)c(CN3CC(C=C(F)F)CC3=O)n2n1
InChIInChI=1S/C19H23F2N5O/c1-2-7-22-16-5-6-17-23-19(13-3-4-13)14(26(17)24-16)11-25-10-12(8-15(20)21)9-18(25)27/h5-6,8,12-13H,2-4,7,9-11H2,1H3,(H,22,24)
InChIKeyUPRCOVRTKJLZNG-UHFFFAOYSA-N
MW375.42 g/mol
LogP3.56
Rot. Bonds7

About 1-[[2-cyclopropyl-6-(propylamino)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-(2,2-difluoroethenyl)pyrrolidin-2-one

1-[[2-cyclopropyl-6-(propylamino)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-(2,2-difluoroethenyl)pyrrolidin-2-one (PubChem CID 15951699) has the molecular formula C19H23F2N5O and a molecular weight of 375.42 g/mol. Its IUPAC name is 1-[[2-cyclopropyl-6-(propylamino)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-(2,2-difluoroethenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[2-cyclopropyl-6-(propylamino)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-(2,2-difluoroethenyl)pyrrolidin-2-one
PubChem CID15951699
Molecular FormulaC19H23F2N5O
Molecular Weight375.42 g/mol
Exact Mass375.19
IUPAC Name1-[[2-cyclopropyl-6-(propylamino)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-(2,2-difluoroethenyl)pyrrolidin-2-one
SMILESCCCNc1ccc2nc(C3CC3)c(CN3CC(C=C(F)F)CC3=O)n2n1
InChIInChI=1S/C19H23F2N5O/c1-2-7-22-16-5-6-17-23-19(13-3-4-13)14(26(17)24-16)11-25-10-12(8-15(20)21)9-18(25)27/h5-6,8,12-13H,2-4,7,9-11H2,1H3,(H,22,24)
InChIKeyUPRCOVRTKJLZNG-UHFFFAOYSA-N
XLogP3.56
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-cyclopropyl-6-(propylamino)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-(2,2-difluoroethenyl)pyrrolidin-2-one?
The IUPAC name of 1-[[2-cyclopropyl-6-(propylamino)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-(2,2-difluoroethenyl)pyrrolidin-2-one (CID 15951699) is 1-[[2-cyclopropyl-6-(propylamino)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-(2,2-difluoroethenyl)pyrrolidin-2-one.
What is the SMILES notation for 1-[[2-cyclopropyl-6-(propylamino)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-(2,2-difluoroethenyl)pyrrolidin-2-one?
The canonical SMILES for 1-[[2-cyclopropyl-6-(propylamino)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-(2,2-difluoroethenyl)pyrrolidin-2-one is CCCNc1ccc2nc(C3CC3)c(CN3CC(C=C(F)F)CC3=O)n2n1.
What is the InChIKey of 1-[[2-cyclopropyl-6-(propylamino)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-(2,2-difluoroethenyl)pyrrolidin-2-one?
The InChIKey is UPRCOVRTKJLZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N5O/c1-2-7-22-16-5-6-17-23-19(13-3-4-13)14(26(17)24-16)11-25-10-12(8-15(20)21)9-18(25)27/h5-6,8,12-13H,2-4,7,9-11H2,1H3,(H,22,24).
What are the key properties of 1-[[2-cyclopropyl-6-(propylamino)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-(2,2-difluoroethenyl)pyrrolidin-2-one?
1-[[2-cyclopropyl-6-(propylamino)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-(2,2-difluoroethenyl)pyrrolidin-2-one has a molecular weight of 375.42 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-cyclopropyl-6-(propylamino)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-(2,2-difluoroethenyl)pyrrolidin-2-one is sourced from PubChem (CID 15951699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).