1-[[6-(dimethylamino)-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylpyrrolidin-2-one

C17H22F3N5O — CID 15952850

IUPAC1-[[6-(dimethylamino)-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylpyrrolidin-2-one
SMILESCCCC1CC(=O)N(Cc2c(C(F)(F)F)nc3ccc(N(C)C)nn23)C1
InChIInChI=1S/C17H22F3N5O/c1-4-5-11-8-15(26)24(9-11)10-12-16(17(18,19)20)21-13-6-7-14(23(2)3)22-25(12)13/h6-7,11H,4-5,8-10H2,1-3H3
InChIKeyGFDQXRCDHZLRSD-UHFFFAOYSA-N
MW369.39 g/mol
LogP2.96
Rot. Bonds5

About 1-[[6-(dimethylamino)-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylpyrrolidin-2-one

1-[[6-(dimethylamino)-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylpyrrolidin-2-one (PubChem CID 15952850) has the molecular formula C17H22F3N5O and a molecular weight of 369.39 g/mol. Its IUPAC name is 1-[[6-(dimethylamino)-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[[6-(dimethylamino)-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylpyrrolidin-2-one
PubChem CID15952850
Molecular FormulaC17H22F3N5O
Molecular Weight369.39 g/mol
Exact Mass369.18
IUPAC Name1-[[6-(dimethylamino)-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylpyrrolidin-2-one
SMILESCCCC1CC(=O)N(Cc2c(C(F)(F)F)nc3ccc(N(C)C)nn23)C1
InChIInChI=1S/C17H22F3N5O/c1-4-5-11-8-15(26)24(9-11)10-12-16(17(18,19)20)21-13-6-7-14(23(2)3)22-25(12)13/h6-7,11H,4-5,8-10H2,1-3H3
InChIKeyGFDQXRCDHZLRSD-UHFFFAOYSA-N
XLogP2.96
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[[6-(dimethylamino)-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylpyrrolidin-2-one with MolForge

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Related Compounds

Cyclopentyl-[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,4-diazepan-1-yl]methanone
CID 134800804
N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]cyclopentanecarboxamide
CID 134801010
Cyclopentyl-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,4-diazepan-1-yl]methanone
CID 134801534
Cyclopentyl-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone
CID 134801720
N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]cyclopentanecarboxamide
CID 134803505
N-(1-{3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}azetidin-3-yl)-2-cyclopentyl-N-methylacetamide
CID 126922651
4-(2,2-Difluoroethenyl)-1-[[6-(propan-2-ylamino)-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyrrolidin-2-one
CID 15951697
4-(2,2-Difluoroethenyl)-1-[[2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyrrolidin-2-one
CID 15951698
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-fluoroethylamino)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-(2,2-difluoroethenyl)pyrrolidin-2-one
CID 15951700
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

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(dimethylamino)-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylpyrrolidin-2-one?
The IUPAC name of 1-[[6-(dimethylamino)-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylpyrrolidin-2-one (CID 15952850) is 1-[[6-(dimethylamino)-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylpyrrolidin-2-one.
What is the SMILES notation for 1-[[6-(dimethylamino)-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylpyrrolidin-2-one?
The canonical SMILES for 1-[[6-(dimethylamino)-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylpyrrolidin-2-one is CCCC1CC(=O)N(Cc2c(C(F)(F)F)nc3ccc(N(C)C)nn23)C1.
What is the InChIKey of 1-[[6-(dimethylamino)-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylpyrrolidin-2-one?
The InChIKey is GFDQXRCDHZLRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3N5O/c1-4-5-11-8-15(26)24(9-11)10-12-16(17(18,19)20)21-13-6-7-14(23(2)3)22-25(12)13/h6-7,11H,4-5,8-10H2,1-3H3.
What are the key properties of 1-[[6-(dimethylamino)-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylpyrrolidin-2-one?
1-[[6-(dimethylamino)-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylpyrrolidin-2-one has a molecular weight of 369.39 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(dimethylamino)-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylpyrrolidin-2-one is sourced from PubChem (CID 15952850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).