5-chloro-N-[2,4-difluoro-3-(imidazo[1,5-b]pyridazin-3-yloxymethyl)phenyl]-2-methoxypyridine-3-sulfonamide

C19H14ClF2N5O4S — CID 164593358

IUPAC5-chloro-N-[2,4-difluoro-3-(imidazo[1,5-b]pyridazin-3-yloxymethyl)phenyl]-2-methoxypyridine-3-sulfonamide
SMILESCOc1ncc(Cl)cc1S(=O)(=O)Nc1ccc(F)c(COc2cnn3cncc3c2)c1F
InChIInChI=1S/C19H14ClF2N5O4S/c1-30-19-17(4-11(20)6-24-19)32(28,29)26-16-3-2-15(21)14(18(16)22)9-31-13-5-12-7-23-10-27(12)25-8-13/h2-8,10,26H,9H2,1H3
InChIKeyXAOJVUISNVANSM-UHFFFAOYSA-N
MW481.87 g/mol
LogP3.44
Rot. Bonds7

About 5-chloro-N-[2,4-difluoro-3-(imidazo[1,5-b]pyridazin-3-yloxymethyl)phenyl]-2-methoxypyridine-3-sulfonamide

5-chloro-N-[2,4-difluoro-3-(imidazo[1,5-b]pyridazin-3-yloxymethyl)phenyl]-2-methoxypyridine-3-sulfonamide (PubChem CID 164593358) has the molecular formula C19H14ClF2N5O4S and a molecular weight of 481.87 g/mol. Its IUPAC name is 5-chloro-N-[2,4-difluoro-3-(imidazo[1,5-b]pyridazin-3-yloxymethyl)phenyl]-2-methoxypyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[2,4-difluoro-3-(imidazo[1,5-b]pyridazin-3-yloxymethyl)phenyl]-2-methoxypyridine-3-sulfonamide
PubChem CID164593358
Molecular FormulaC19H14ClF2N5O4S
Molecular Weight481.87 g/mol
Exact Mass481.04
IUPAC Name5-chloro-N-[2,4-difluoro-3-(imidazo[1,5-b]pyridazin-3-yloxymethyl)phenyl]-2-methoxypyridine-3-sulfonamide
SMILESCOc1ncc(Cl)cc1S(=O)(=O)Nc1ccc(F)c(COc2cnn3cncc3c2)c1F
InChIInChI=1S/C19H14ClF2N5O4S/c1-30-19-17(4-11(20)6-24-19)32(28,29)26-16-3-2-15(21)14(18(16)22)9-31-13-5-12-7-23-10-27(12)25-8-13/h2-8,10,26H,9H2,1H3
InChIKeyXAOJVUISNVANSM-UHFFFAOYSA-N
XLogP3.44
TPSA107.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.87
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-chloro-N-[2,4-difluoro-3-[(1-methylpyrazolo[4,5-b]pyridin-6-yl)oxymethyl]phenyl]-2-methoxypyridine-3-sulfonamide
CID 171465893
N-[2,4-difluoro-3-[(1-methylpyrazolo[4,5-b]pyridin-6-yl)oxymethyl]phenyl]-5-fluoro-2-methoxypyridine-3-sulfonamide
CID 171465818
5-chloro-N-[2,4-difluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethyl]phenyl]-2-methoxypyridine-3-sulfonamide
CID 164593347
N-[3-[2-(8-aminoimidazo[1,2-a]pyrazin-3-yl)ethyl]-2,4-difluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide
CID 164593334
5-[2-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]ethyl]-1-[(4-methoxyphenyl)methyl]-N-methylpyrazole-3-carboxamide
CID 171465914
5-chloro-N-[3-[[4-cyano-1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-5-yl]oxymethyl]-2,4-difluorophenyl]-2-methoxypyridine-3-sulfonamide
CID 171465916
N-[3-[[3-(1,1-difluoroethyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]oxymethyl]-2,4-difluorophenyl]-5-fluoro-2-methoxypyridine-3-sulfonamide
CID 171465839
4-fluoro-N-[(5-fluoro-2-methoxy-3-pyridinyl)-methylidene-oxo-λ6-sulfanyl]-2-methyl-3-[(5-methylimidazo[1,5-b]pyridazin-3-yl)oxymethyl]aniline
CID 164593301
N-[2,4-difluoro-3-[(4-methyl-1H-pyrazolo[3,4-b]pyridin-5-yl)oxymethyl]phenyl]-5-fluoro-2-methoxypyridine-3-sulfonamide
CID 164593242
N-[3-(3-amino-1H-indazol-6-yl)-2,4-difluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide
CID 156833302
6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-5-methoxy-N-methylimidazo[1,5-a]pyridine-1-carboxamide
CID 164594101
N-[3-(8-acetyl-2-methoxyimidazo[1,5-a]pyrimidin-3-yl)-2,4-difluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide
CID 164593971

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2,4-difluoro-3-(imidazo[1,5-b]pyridazin-3-yloxymethyl)phenyl]-2-methoxypyridine-3-sulfonamide?
The IUPAC name of 5-chloro-N-[2,4-difluoro-3-(imidazo[1,5-b]pyridazin-3-yloxymethyl)phenyl]-2-methoxypyridine-3-sulfonamide (CID 164593358) is 5-chloro-N-[2,4-difluoro-3-(imidazo[1,5-b]pyridazin-3-yloxymethyl)phenyl]-2-methoxypyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-N-[2,4-difluoro-3-(imidazo[1,5-b]pyridazin-3-yloxymethyl)phenyl]-2-methoxypyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-N-[2,4-difluoro-3-(imidazo[1,5-b]pyridazin-3-yloxymethyl)phenyl]-2-methoxypyridine-3-sulfonamide is COc1ncc(Cl)cc1S(=O)(=O)Nc1ccc(F)c(COc2cnn3cncc3c2)c1F.
What is the InChIKey of 5-chloro-N-[2,4-difluoro-3-(imidazo[1,5-b]pyridazin-3-yloxymethyl)phenyl]-2-methoxypyridine-3-sulfonamide?
The InChIKey is XAOJVUISNVANSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF2N5O4S/c1-30-19-17(4-11(20)6-24-19)32(28,29)26-16-3-2-15(21)14(18(16)22)9-31-13-5-12-7-23-10-27(12)25-8-13/h2-8,10,26H,9H2,1H3.
What are the key properties of 5-chloro-N-[2,4-difluoro-3-(imidazo[1,5-b]pyridazin-3-yloxymethyl)phenyl]-2-methoxypyridine-3-sulfonamide?
5-chloro-N-[2,4-difluoro-3-(imidazo[1,5-b]pyridazin-3-yloxymethyl)phenyl]-2-methoxypyridine-3-sulfonamide has a molecular weight of 481.87 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2,4-difluoro-3-(imidazo[1,5-b]pyridazin-3-yloxymethyl)phenyl]-2-methoxypyridine-3-sulfonamide is sourced from PubChem (CID 164593358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).