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

C18H18F5N5O — CID 15951702

IUPAC1-[[2-cyclopropyl-6-(2,2,2-trifluoroethylamino)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-(2,2-difluoroethenyl)pyrrolidin-2-one
SMILESO=C1CC(C=C(F)F)CN1Cc1c(C2CC2)nc2ccc(NCC(F)(F)F)nn12
InChIInChI=1S/C18H18F5N5O/c19-13(20)5-10-6-16(29)27(7-10)8-12-17(11-1-2-11)25-15-4-3-14(26-28(12)15)24-9-18(21,22)23/h3-5,10-11H,1-2,6-9H2,(H,24,26)
InChIKeyUJOFDKYCIPDRGA-UHFFFAOYSA-N
MW415.37 g/mol
LogP3.71
Rot. Bonds6

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

1-[[2-cyclopropyl-6-(2,2,2-trifluoroethylamino)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-(2,2-difluoroethenyl)pyrrolidin-2-one (PubChem CID 15951702) has the molecular formula C18H18F5N5O and a molecular weight of 415.37 g/mol. Its IUPAC name is 1-[[2-cyclopropyl-6-(2,2,2-trifluoroethylamino)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-(2,2-difluoroethenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[2-cyclopropyl-6-(2,2,2-trifluoroethylamino)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-(2,2-difluoroethenyl)pyrrolidin-2-one
PubChem CID15951702
Molecular FormulaC18H18F5N5O
Molecular Weight415.37 g/mol
Exact Mass415.14
IUPAC Name1-[[2-cyclopropyl-6-(2,2,2-trifluoroethylamino)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-(2,2-difluoroethenyl)pyrrolidin-2-one
SMILESO=C1CC(C=C(F)F)CN1Cc1c(C2CC2)nc2ccc(NCC(F)(F)F)nn12
InChIInChI=1S/C18H18F5N5O/c19-13(20)5-10-6-16(29)27(7-10)8-12-17(11-1-2-11)25-15-4-3-14(26-28(12)15)24-9-18(21,22)23/h3-5,10-11H,1-2,6-9H2,(H,24,26)
InChIKeyUJOFDKYCIPDRGA-UHFFFAOYSA-N
XLogP3.71
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.37
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-cyclopropyl-6-(2,2,2-trifluoroethylamino)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-(2,2-difluoroethenyl)pyrrolidin-2-one?
The IUPAC name of 1-[[2-cyclopropyl-6-(2,2,2-trifluoroethylamino)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-(2,2-difluoroethenyl)pyrrolidin-2-one (CID 15951702) is 1-[[2-cyclopropyl-6-(2,2,2-trifluoroethylamino)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-(2,2,2-trifluoroethylamino)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-(2,2-difluoroethenyl)pyrrolidin-2-one?
The canonical SMILES for 1-[[2-cyclopropyl-6-(2,2,2-trifluoroethylamino)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-(2,2-difluoroethenyl)pyrrolidin-2-one is O=C1CC(C=C(F)F)CN1Cc1c(C2CC2)nc2ccc(NCC(F)(F)F)nn12.
What is the InChIKey of 1-[[2-cyclopropyl-6-(2,2,2-trifluoroethylamino)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-(2,2-difluoroethenyl)pyrrolidin-2-one?
The InChIKey is UJOFDKYCIPDRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F5N5O/c19-13(20)5-10-6-16(29)27(7-10)8-12-17(11-1-2-11)25-15-4-3-14(26-28(12)15)24-9-18(21,22)23/h3-5,10-11H,1-2,6-9H2,(H,24,26).
What are the key properties of 1-[[2-cyclopropyl-6-(2,2,2-trifluoroethylamino)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-(2,2-difluoroethenyl)pyrrolidin-2-one?
1-[[2-cyclopropyl-6-(2,2,2-trifluoroethylamino)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-(2,2-difluoroethenyl)pyrrolidin-2-one has a molecular weight of 415.37 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-cyclopropyl-6-(2,2,2-trifluoroethylamino)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-(2,2-difluoroethenyl)pyrrolidin-2-one is sourced from PubChem (CID 15951702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).