[3-(4-chlorophenyl)imidazo[1,2-b]pyridazin-2-yl]-pyrrolidin-1-ylmethanone

C17H15ClN4O — CID 118875398

IUPAC[3-(4-chlorophenyl)imidazo[1,2-b]pyridazin-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1nc2cccnn2c1-c1ccc(Cl)cc1)N1CCCC1
InChIInChI=1S/C17H15ClN4O/c18-13-7-5-12(6-8-13)16-15(17(23)21-10-1-2-11-21)20-14-4-3-9-19-22(14)16/h3-9H,1-2,10-11H2
InChIKeyVGOMARAKBZMHJT-UHFFFAOYSA-N
MW326.79 g/mol
LogP3.29
Rot. Bonds2

About [3-(4-chlorophenyl)imidazo[1,2-b]pyridazin-2-yl]-pyrrolidin-1-ylmethanone

[3-(4-chlorophenyl)imidazo[1,2-b]pyridazin-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 118875398) has the molecular formula C17H15ClN4O and a molecular weight of 326.79 g/mol. Its IUPAC name is [3-(4-chlorophenyl)imidazo[1,2-b]pyridazin-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[3-(4-chlorophenyl)imidazo[1,2-b]pyridazin-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID118875398
Molecular FormulaC17H15ClN4O
Molecular Weight326.79 g/mol
Exact Mass326.09
IUPAC Name[3-(4-chlorophenyl)imidazo[1,2-b]pyridazin-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1nc2cccnn2c1-c1ccc(Cl)cc1)N1CCCC1
InChIInChI=1S/C17H15ClN4O/c18-13-7-5-12(6-8-13)16-15(17(23)21-10-1-2-11-21)20-14-4-3-9-19-22(14)16/h3-9H,1-2,10-11H2
InChIKeyVGOMARAKBZMHJT-UHFFFAOYSA-N
XLogP3.29
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.79
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-Chloro-2-Methylphenyl)-4-(Pyrrolo[2,1-F][1,2,4]triazin-4-Yl)-1h-Pyrrole-2-Carboxamide
CID 118129292
US10077269, Example 6
CID 118863057
2-[2-(4-chlorophenyl)-6,8-dimethylimidazo[1,2-b]pyridazin-3-yl]-N,N-diethylacetamide
CID 44197009
5-amino-N-[3-(5-chloro-2-methylphenyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063121
5-amino-N-[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063225
US10077269, Example 104
CID 118875388
(4-Chlorophenyl)(7-methylimidazo(1,2-A)pyridin-3-YL)methanone
CID 3776081
3-(4-Chloro-phenyl)-1,8-dimethyl-5-[4-(2-methyl-imidazo[4,5-c]pyridin-1-yl)-phenyl]-6,8-dihydro-1H-pyrazolo[3,4-b][1,4]diazepin-7-one
CID 10458486
N-[3-(5-chloro-2-methylphenyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 71459077
N-benzyl-3-chloro-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 2243054
N-[(E)-1-(4-chlorophenyl)propylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 6060729
3-(2-benzoyl-1H-imidazol-1-yl)-6-chloropyridazine
CID 6401181

Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorophenyl)imidazo[1,2-b]pyridazin-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [3-(4-chlorophenyl)imidazo[1,2-b]pyridazin-2-yl]-pyrrolidin-1-ylmethanone (CID 118875398) is [3-(4-chlorophenyl)imidazo[1,2-b]pyridazin-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [3-(4-chlorophenyl)imidazo[1,2-b]pyridazin-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [3-(4-chlorophenyl)imidazo[1,2-b]pyridazin-2-yl]-pyrrolidin-1-ylmethanone is O=C(c1nc2cccnn2c1-c1ccc(Cl)cc1)N1CCCC1.
What is the InChIKey of [3-(4-chlorophenyl)imidazo[1,2-b]pyridazin-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is VGOMARAKBZMHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O/c18-13-7-5-12(6-8-13)16-15(17(23)21-10-1-2-11-21)20-14-4-3-9-19-22(14)16/h3-9H,1-2,10-11H2.
What are the key properties of [3-(4-chlorophenyl)imidazo[1,2-b]pyridazin-2-yl]-pyrrolidin-1-ylmethanone?
[3-(4-chlorophenyl)imidazo[1,2-b]pyridazin-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 326.79 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chlorophenyl)imidazo[1,2-b]pyridazin-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 118875398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).