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

C20H17Cl2FN4O — CID 15951973

IUPAC1-[(6-chloro-2-cyclopropylimidazo[1,2-b]pyridazin-3-yl)methyl]-4-(3-chloro-4-fluorophenyl)pyrrolidin-2-one
SMILESO=C1CC(c2ccc(F)c(Cl)c2)CN1Cc1c(C2CC2)nc2ccc(Cl)nn12
InChIInChI=1S/C20H17Cl2FN4O/c21-14-7-12(3-4-15(14)23)13-8-19(28)26(9-13)10-16-20(11-1-2-11)24-18-6-5-17(22)25-27(16)18/h3-7,11,13H,1-2,8-10H2
InChIKeyFZWUMFFDTAUARF-UHFFFAOYSA-N
MW419.29 g/mol
LogP4.57
Rot. Bonds4

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

1-[(6-chloro-2-cyclopropylimidazo[1,2-b]pyridazin-3-yl)methyl]-4-(3-chloro-4-fluorophenyl)pyrrolidin-2-one (PubChem CID 15951973) has the molecular formula C20H17Cl2FN4O and a molecular weight of 419.29 g/mol. Its IUPAC name is 1-[(6-chloro-2-cyclopropylimidazo[1,2-b]pyridazin-3-yl)methyl]-4-(3-chloro-4-fluorophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(6-chloro-2-cyclopropylimidazo[1,2-b]pyridazin-3-yl)methyl]-4-(3-chloro-4-fluorophenyl)pyrrolidin-2-one
PubChem CID15951973
Molecular FormulaC20H17Cl2FN4O
Molecular Weight419.29 g/mol
Exact Mass418.08
IUPAC Name1-[(6-chloro-2-cyclopropylimidazo[1,2-b]pyridazin-3-yl)methyl]-4-(3-chloro-4-fluorophenyl)pyrrolidin-2-one
SMILESO=C1CC(c2ccc(F)c(Cl)c2)CN1Cc1c(C2CC2)nc2ccc(Cl)nn12
InChIInChI=1S/C20H17Cl2FN4O/c21-14-7-12(3-4-15(14)23)13-8-19(28)26(9-13)10-16-20(11-1-2-11)24-18-6-5-17(22)25-27(16)18/h3-7,11,13H,1-2,8-10H2
InChIKeyFZWUMFFDTAUARF-UHFFFAOYSA-N
XLogP4.57
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.29
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6,8-dimethyl-2-(4-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-N,N-diethylacetamide
CID 44197008
2-[2-(4-chlorophenyl)-6,8-dimethylimidazo[1,2-b]pyridazin-3-yl]-N,N-diethylacetamide
CID 44197009
N,N-diethyl-2-[2-(4-fluorophenyl)-6,8-dimethylimidazo[1,2-b]pyridazin-3-yl]acetamide
CID 44197027
N-(3-chlorobenzyl)-4-(6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl)-N-(((2S,4R)-4-fluoropyrrolidin-2-yl)methyl)benzamide
CID 53321634
2-[2-[4-(3-Fluoropropyl)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-1-pyrrolidin-1-ylethanone
CID 134133845
US10077269, Example 21
CID 126700156
1-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N,N-dipropylpiperidine-4-carboxamide
CID 16008312
[4-[5-Chloro-2-(3-chlorophenyl)-7-pyrazolo[1,5-a]pyrimidinyl]-1-piperazinyl]-phenylmethanone
CID 44630539
2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-N,N-dipropylacetamide
CID 24751363
2-(3-Chloro-4-fluorophenyl)-1-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]ethanone
CID 162386509
2-(3-Chloro-5-fluorophenyl)-1-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]ethanone
CID 162386630
US10077269, Example 27
CID 118875398

Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloro-2-cyclopropylimidazo[1,2-b]pyridazin-3-yl)methyl]-4-(3-chloro-4-fluorophenyl)pyrrolidin-2-one?
The IUPAC name of 1-[(6-chloro-2-cyclopropylimidazo[1,2-b]pyridazin-3-yl)methyl]-4-(3-chloro-4-fluorophenyl)pyrrolidin-2-one (CID 15951973) is 1-[(6-chloro-2-cyclopropylimidazo[1,2-b]pyridazin-3-yl)methyl]-4-(3-chloro-4-fluorophenyl)pyrrolidin-2-one.
What is the SMILES notation for 1-[(6-chloro-2-cyclopropylimidazo[1,2-b]pyridazin-3-yl)methyl]-4-(3-chloro-4-fluorophenyl)pyrrolidin-2-one?
The canonical SMILES for 1-[(6-chloro-2-cyclopropylimidazo[1,2-b]pyridazin-3-yl)methyl]-4-(3-chloro-4-fluorophenyl)pyrrolidin-2-one is O=C1CC(c2ccc(F)c(Cl)c2)CN1Cc1c(C2CC2)nc2ccc(Cl)nn12.
What is the InChIKey of 1-[(6-chloro-2-cyclopropylimidazo[1,2-b]pyridazin-3-yl)methyl]-4-(3-chloro-4-fluorophenyl)pyrrolidin-2-one?
The InChIKey is FZWUMFFDTAUARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2FN4O/c21-14-7-12(3-4-15(14)23)13-8-19(28)26(9-13)10-16-20(11-1-2-11)24-18-6-5-17(22)25-27(16)18/h3-7,11,13H,1-2,8-10H2.
What are the key properties of 1-[(6-chloro-2-cyclopropylimidazo[1,2-b]pyridazin-3-yl)methyl]-4-(3-chloro-4-fluorophenyl)pyrrolidin-2-one?
1-[(6-chloro-2-cyclopropylimidazo[1,2-b]pyridazin-3-yl)methyl]-4-(3-chloro-4-fluorophenyl)pyrrolidin-2-one has a molecular weight of 419.29 g/mol, XLogP of 4.57, 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-(3-chloro-4-fluorophenyl)pyrrolidin-2-one is sourced from PubChem (CID 15951973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).