5-chloro-N-[2,4-difluoro-3-[5-(1H-imidazol-2-yl)imidazo[1,5-b]pyridazin-2-yl]phenyl]-2-methylpyridine-3-sulfonamide

C21H14ClF2N7O2S — CID 164594359

IUPAC5-chloro-N-[2,4-difluoro-3-[5-(1H-imidazol-2-yl)imidazo[1,5-b]pyridazin-2-yl]phenyl]-2-methylpyridine-3-sulfonamide
SMILESCc1ncc(Cl)cc1S(=O)(=O)Nc1ccc(F)c(-c2ccc3c(-c4ncc[nH]4)ncn3n2)c1F
InChIInChI=1S/C21H14ClF2N7O2S/c1-11-17(8-12(22)9-27-11)34(32,33)30-15-3-2-13(23)18(19(15)24)14-4-5-16-20(21-25-6-7-26-21)28-10-31(16)29-14/h2-10,30H,1H3,(H,25,26)
InChIKeyWIQBILCGRSQSLK-UHFFFAOYSA-N
MW501.91 g/mol
LogP4.22
Rot. Bonds5

About 5-chloro-N-[2,4-difluoro-3-[5-(1H-imidazol-2-yl)imidazo[1,5-b]pyridazin-2-yl]phenyl]-2-methylpyridine-3-sulfonamide

5-chloro-N-[2,4-difluoro-3-[5-(1H-imidazol-2-yl)imidazo[1,5-b]pyridazin-2-yl]phenyl]-2-methylpyridine-3-sulfonamide (PubChem CID 164594359) has the molecular formula C21H14ClF2N7O2S and a molecular weight of 501.91 g/mol. Its IUPAC name is 5-chloro-N-[2,4-difluoro-3-[5-(1H-imidazol-2-yl)imidazo[1,5-b]pyridazin-2-yl]phenyl]-2-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[2,4-difluoro-3-[5-(1H-imidazol-2-yl)imidazo[1,5-b]pyridazin-2-yl]phenyl]-2-methylpyridine-3-sulfonamide
PubChem CID164594359
Molecular FormulaC21H14ClF2N7O2S
Molecular Weight501.91 g/mol
Exact Mass501.06
IUPAC Name5-chloro-N-[2,4-difluoro-3-[5-(1H-imidazol-2-yl)imidazo[1,5-b]pyridazin-2-yl]phenyl]-2-methylpyridine-3-sulfonamide
SMILESCc1ncc(Cl)cc1S(=O)(=O)Nc1ccc(F)c(-c2ccc3c(-c4ncc[nH]4)ncn3n2)c1F
InChIInChI=1S/C21H14ClF2N7O2S/c1-11-17(8-12(22)9-27-11)34(32,33)30-15-3-2-13(23)18(19(15)24)14-4-5-16-20(21-25-6-7-26-21)28-10-31(16)29-14/h2-10,30H,1H3,(H,25,26)
InChIKeyWIQBILCGRSQSLK-UHFFFAOYSA-N
XLogP4.22
TPSA117.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.91
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2,4-difluoro-3-[5-(1H-imidazol-2-yl)imidazo[1,5-b]pyridazin-2-yl]phenyl]-2-methylpyridine-3-sulfonamide?
The IUPAC name of 5-chloro-N-[2,4-difluoro-3-[5-(1H-imidazol-2-yl)imidazo[1,5-b]pyridazin-2-yl]phenyl]-2-methylpyridine-3-sulfonamide (CID 164594359) is 5-chloro-N-[2,4-difluoro-3-[5-(1H-imidazol-2-yl)imidazo[1,5-b]pyridazin-2-yl]phenyl]-2-methylpyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-N-[2,4-difluoro-3-[5-(1H-imidazol-2-yl)imidazo[1,5-b]pyridazin-2-yl]phenyl]-2-methylpyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-N-[2,4-difluoro-3-[5-(1H-imidazol-2-yl)imidazo[1,5-b]pyridazin-2-yl]phenyl]-2-methylpyridine-3-sulfonamide is Cc1ncc(Cl)cc1S(=O)(=O)Nc1ccc(F)c(-c2ccc3c(-c4ncc[nH]4)ncn3n2)c1F.
What is the InChIKey of 5-chloro-N-[2,4-difluoro-3-[5-(1H-imidazol-2-yl)imidazo[1,5-b]pyridazin-2-yl]phenyl]-2-methylpyridine-3-sulfonamide?
The InChIKey is WIQBILCGRSQSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClF2N7O2S/c1-11-17(8-12(22)9-27-11)34(32,33)30-15-3-2-13(23)18(19(15)24)14-4-5-16-20(21-25-6-7-26-21)28-10-31(16)29-14/h2-10,30H,1H3,(H,25,26).
What are the key properties of 5-chloro-N-[2,4-difluoro-3-[5-(1H-imidazol-2-yl)imidazo[1,5-b]pyridazin-2-yl]phenyl]-2-methylpyridine-3-sulfonamide?
5-chloro-N-[2,4-difluoro-3-[5-(1H-imidazol-2-yl)imidazo[1,5-b]pyridazin-2-yl]phenyl]-2-methylpyridine-3-sulfonamide has a molecular weight of 501.91 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2,4-difluoro-3-[5-(1H-imidazol-2-yl)imidazo[1,5-b]pyridazin-2-yl]phenyl]-2-methylpyridine-3-sulfonamide is sourced from PubChem (CID 164594359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).