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

C18H20F3N5O — CID 15951700

IUPAC1-[[2-cyclopropyl-6-(2-fluoroethylamino)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-(2,2-difluoroethenyl)pyrrolidin-2-one
SMILESO=C1CC(C=C(F)F)CN1Cc1c(C2CC2)nc2ccc(NCCF)nn12
InChIInChI=1S/C18H20F3N5O/c19-5-6-22-15-3-4-16-23-18(12-1-2-12)13(26(16)24-15)10-25-9-11(7-14(20)21)8-17(25)27/h3-4,7,11-12H,1-2,5-6,8-10H2,(H,22,24)
InChIKeyKFEMDEKGDJBPKO-UHFFFAOYSA-N
MW379.39 g/mol
LogP3.12
Rot. Bonds7

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

1-[[2-cyclopropyl-6-(2-fluoroethylamino)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-(2,2-difluoroethenyl)pyrrolidin-2-one (PubChem CID 15951700) has the molecular formula C18H20F3N5O and a molecular weight of 379.39 g/mol. Its IUPAC name is 1-[[2-cyclopropyl-6-(2-fluoroethylamino)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-(2,2-difluoroethenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[2-cyclopropyl-6-(2-fluoroethylamino)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-(2,2-difluoroethenyl)pyrrolidin-2-one
PubChem CID15951700
Molecular FormulaC18H20F3N5O
Molecular Weight379.39 g/mol
Exact Mass379.16
IUPAC Name1-[[2-cyclopropyl-6-(2-fluoroethylamino)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-(2,2-difluoroethenyl)pyrrolidin-2-one
SMILESO=C1CC(C=C(F)F)CN1Cc1c(C2CC2)nc2ccc(NCCF)nn12
InChIInChI=1S/C18H20F3N5O/c19-5-6-22-15-3-4-16-23-18(12-1-2-12)13(26(16)24-15)10-25-9-11(7-14(20)21)8-17(25)27/h3-4,7,11-12H,1-2,5-6,8-10H2,(H,22,24)
InChIKeyKFEMDEKGDJBPKO-UHFFFAOYSA-N
XLogP3.12
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[1-(2,2-difluorocyclopropanecarbonyl)-2,5-dihydropyrrol-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 139387328
N-[5-[1-(1-fluorocyclopropanecarbonyl)-2,5-dihydropyrrol-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 139387333
N-[5-[2-(3,3,3-trifluoropropanoyl)-2-azaspiro[4.5]decan-8-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 146408523
4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 156014858
N-[5-[1-(1,2-difluorocyclopropanecarbonyl)-2,5-dihydropyrrol-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 165437015
US20240043427, Example 440
CID 171368662
4-(2,2-Difluoroethenyl)-1-[[6-(propan-2-ylamino)-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyrrolidin-2-one
CID 15951697
1-[[2-Cyclopropyl-6-(propylamino)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-(2,2-difluoroethenyl)pyrrolidin-2-one
CID 15951699
1-[[2-Cyclopropyl-6-(2,2-difluoroethylamino)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-(2,2-difluoroethenyl)pyrrolidin-2-one
CID 15951701
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
1-[[2-Cyclopropyl-6-(cyclopropylamino)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-(2,2-difluoroethenyl)pyrrolidin-2-one
CID 15951787
3-[[4-(2,2-Difluoroethenyl)-2-oxopyrrolidin-1-yl]methyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-6-carbonitrile
CID 15951792

Frequently Asked Questions

What is the IUPAC name of 1-[[2-cyclopropyl-6-(2-fluoroethylamino)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-(2,2-difluoroethenyl)pyrrolidin-2-one?
The IUPAC name of 1-[[2-cyclopropyl-6-(2-fluoroethylamino)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-(2,2-difluoroethenyl)pyrrolidin-2-one (CID 15951700) is 1-[[2-cyclopropyl-6-(2-fluoroethylamino)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-fluoroethylamino)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-(2,2-difluoroethenyl)pyrrolidin-2-one?
The canonical SMILES for 1-[[2-cyclopropyl-6-(2-fluoroethylamino)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(NCCF)nn12.
What is the InChIKey of 1-[[2-cyclopropyl-6-(2-fluoroethylamino)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-(2,2-difluoroethenyl)pyrrolidin-2-one?
The InChIKey is KFEMDEKGDJBPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N5O/c19-5-6-22-15-3-4-16-23-18(12-1-2-12)13(26(16)24-15)10-25-9-11(7-14(20)21)8-17(25)27/h3-4,7,11-12H,1-2,5-6,8-10H2,(H,22,24).
What are the key properties of 1-[[2-cyclopropyl-6-(2-fluoroethylamino)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-(2,2-difluoroethenyl)pyrrolidin-2-one?
1-[[2-cyclopropyl-6-(2-fluoroethylamino)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-(2,2-difluoroethenyl)pyrrolidin-2-one has a molecular weight of 379.39 g/mol, XLogP of 3.12, 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-(2-fluoroethylamino)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-(2,2-difluoroethenyl)pyrrolidin-2-one is sourced from PubChem (CID 15951700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).