2,4-difluoro-N-[2-methoxy-5-(3-prop-1-ynylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]benzenesulfonamide

C21H15F2N5O3S — CID 74763475

IUPAC2,4-difluoro-N-[2-methoxy-5-(3-prop-1-ynylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]benzenesulfonamide
SMILESCC#Cc1cnc2ccc(-c3cnc(OC)c(NS(=O)(=O)c4ccc(F)cc4F)c3)nn12
InChIInChI=1S/C21H15F2N5O3S/c1-3-4-15-12-24-20-8-6-17(26-28(15)20)13-9-18(21(31-2)25-11-13)27-32(29,30)19-7-5-14(22)10-16(19)23/h5-12,27H,1-2H3
InChIKeyOGUSVIYDGLPQTN-UHFFFAOYSA-N
MW455.45 g/mol
LogP3.25
Rot. Bonds5

About 2,4-difluoro-N-[2-methoxy-5-(3-prop-1-ynylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]benzenesulfonamide

2,4-difluoro-N-[2-methoxy-5-(3-prop-1-ynylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]benzenesulfonamide (PubChem CID 74763475) has the molecular formula C21H15F2N5O3S and a molecular weight of 455.45 g/mol. Its IUPAC name is 2,4-difluoro-N-[2-methoxy-5-(3-prop-1-ynylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-[2-methoxy-5-(3-prop-1-ynylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]benzenesulfonamide
PubChem CID74763475
Molecular FormulaC21H15F2N5O3S
Molecular Weight455.45 g/mol
Exact Mass455.09
IUPAC Name2,4-difluoro-N-[2-methoxy-5-(3-prop-1-ynylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]benzenesulfonamide
SMILESCC#Cc1cnc2ccc(-c3cnc(OC)c(NS(=O)(=O)c4ccc(F)cc4F)c3)nn12
InChIInChI=1S/C21H15F2N5O3S/c1-3-4-15-12-24-20-8-6-17(26-28(15)20)13-9-18(21(31-2)25-11-13)27-32(29,30)19-7-5-14(22)10-16(19)23/h5-12,27H,1-2H3
InChIKeyOGUSVIYDGLPQTN-UHFFFAOYSA-N
XLogP3.25
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.45
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[5-[3-(3,3-dimethylbut-1-ynyl)imidazo[1,2-b]pyridazin-6-yl]-2-methoxy-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 90152169
2,4-difluoro-N-[2-methoxy-5-[7-(3-methylbut-1-ynyl)imidazo[1,2-b][1,2,4]triazin-2-yl]-3-pyridinyl]benzenesulfonamide
CID 90152128
2,4-difluoro-N-[5-[3-(3-hydroxyprop-1-ynyl)imidazo[1,2-a]pyridin-6-yl]-2-methoxy-3-pyridinyl]benzenesulfonamide
CID 74763398
N-[5-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 74763474
2,4-difluoro-N-[5-(3-iodoimidazo[1,2-a]pyridin-6-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide
CID 86718346
N-[5-(3-ethynylimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-3-pyridinyl]pyridine-3-sulfonamide
CID 74763247
2,4-difluoro-N-(2-methoxy-5-pyrazolo[1,5-a]pyridin-5-yl-3-pyridinyl)benzenesulfonamide
CID 86729955
2,4-difluoro-N-[2-methoxy-5-[4-oxo-3-(2-oxopropyl)pyrido[1,2-a]pyrimidin-7-yl]-3-pyridinyl]benzenesulfonamide
CID 157394533
N-[2-chloro-5-[3-(2-trimethylsilylethynyl)imidazo[1,2-b]pyridazin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 86718338
2,4-difluoro-N-[5-(5-formylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide
CID 53476295
N-[5-[3-(3,3-dimethylbut-1-ynyl)pyrazolo[1,5-a]pyridin-5-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 90347334
2,4-difluoro-N-[2-methoxy-5-(2-methyl-3-quinoxalin-6-ylindazol-5-yl)-3-pyridinyl]benzenesulfonamide
CID 71531982

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[2-methoxy-5-(3-prop-1-ynylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 2,4-difluoro-N-[2-methoxy-5-(3-prop-1-ynylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]benzenesulfonamide (CID 74763475) is 2,4-difluoro-N-[2-methoxy-5-(3-prop-1-ynylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-N-[2-methoxy-5-(3-prop-1-ynylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-N-[2-methoxy-5-(3-prop-1-ynylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]benzenesulfonamide is CC#Cc1cnc2ccc(-c3cnc(OC)c(NS(=O)(=O)c4ccc(F)cc4F)c3)nn12.
What is the InChIKey of 2,4-difluoro-N-[2-methoxy-5-(3-prop-1-ynylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]benzenesulfonamide?
The InChIKey is OGUSVIYDGLPQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2N5O3S/c1-3-4-15-12-24-20-8-6-17(26-28(15)20)13-9-18(21(31-2)25-11-13)27-32(29,30)19-7-5-14(22)10-16(19)23/h5-12,27H,1-2H3.
What are the key properties of 2,4-difluoro-N-[2-methoxy-5-(3-prop-1-ynylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]benzenesulfonamide?
2,4-difluoro-N-[2-methoxy-5-(3-prop-1-ynylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]benzenesulfonamide has a molecular weight of 455.45 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[2-methoxy-5-(3-prop-1-ynylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 74763475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).