N-ethyl-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-sulfonamide

C18H20FN5O2S — CID 66685123

IUPACN-ethyl-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-sulfonamide
SMILESCCNS(=O)(=O)c1cnc2ccc(N3CCC[C@@H]3c3cccc(F)c3)nn12
InChIInChI=1S/C18H20FN5O2S/c1-2-21-27(25,26)18-12-20-16-8-9-17(22-24(16)18)23-10-4-7-15(23)13-5-3-6-14(19)11-13/h3,5-6,8-9,11-12,15,21H,2,4,7,10H2,1H3/t15-/m1/s1
InChIKeyNAVUROXVVWLZHO-OAHLLOKOSA-N
MW389.46 g/mol
LogP2.51
Rot. Bonds5

About N-ethyl-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-sulfonamide

N-ethyl-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-sulfonamide (PubChem CID 66685123) has the molecular formula C18H20FN5O2S and a molecular weight of 389.46 g/mol. Its IUPAC name is N-ethyl-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-sulfonamide.

Molecular Properties

Compound NameN-ethyl-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-sulfonamide
PubChem CID66685123
Molecular FormulaC18H20FN5O2S
Molecular Weight389.46 g/mol
Exact Mass389.13
IUPAC NameN-ethyl-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-sulfonamide
SMILESCCNS(=O)(=O)c1cnc2ccc(N3CCC[C@@H]3c3cccc(F)c3)nn12
InChIInChI=1S/C18H20FN5O2S/c1-2-21-27(25,26)18-12-20-16-8-9-17(22-24(16)18)23-10-4-7-15(23)13-5-3-6-14(19)11-13/h3,5-6,8-9,11-12,15,21H,2,4,7,10H2,1H3/t15-/m1/s1
InChIKeyNAVUROXVVWLZHO-OAHLLOKOSA-N
XLogP2.51
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxylic acid
CID 66684546
6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazine
CID 58335786
3-(3-fluorophenyl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine
CID 162486125
6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carbonyl chloride
CID 86663106
N-[[1-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]azetidin-3-yl]methyl]methanesulfonamide
CID 123432655
ethyl 6-[2-(3-fluorophenyl)piperidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxylate
CID 66684898
6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-(2-hydroxyethyl)imidazo[1,2-b]pyridazine-3-carboxamide
CID 56940863
N-(2,2-difluoroethyl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 56941155
6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 163760831
N-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-3-methoxypropanamide
CID 77178143
[5-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-methylphenyl]carbamic acid
CID 118158296
6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-[(2-methylpropan-2-yl)oxy]imidazo[1,2-b]pyridazine-3-carboxamide
CID 87106081

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-sulfonamide?
The IUPAC name of N-ethyl-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-sulfonamide (CID 66685123) is N-ethyl-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-sulfonamide.
What is the SMILES notation for N-ethyl-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-sulfonamide?
The canonical SMILES for N-ethyl-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-sulfonamide is CCNS(=O)(=O)c1cnc2ccc(N3CCC[C@@H]3c3cccc(F)c3)nn12.
What is the InChIKey of N-ethyl-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-sulfonamide?
The InChIKey is NAVUROXVVWLZHO-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H20FN5O2S/c1-2-21-27(25,26)18-12-20-16-8-9-17(22-24(16)18)23-10-4-7-15(23)13-5-3-6-14(19)11-13/h3,5-6,8-9,11-12,15,21H,2,4,7,10H2,1H3/t15-/m1/s1.
What are the key properties of N-ethyl-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-sulfonamide?
N-ethyl-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-sulfonamide has a molecular weight of 389.46 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-sulfonamide is sourced from PubChem (CID 66685123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).