2-[3-[(5-chloro-2-methyl-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-methylimidazo[1,5-b]pyridazine-5-carboxamide

C20H15ClF2N6O3S — CID 164594614

IUPAC2-[3-[(5-chloro-2-methyl-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-methylimidazo[1,5-b]pyridazine-5-carboxamide
SMILESCNC(=O)c1ncn2nc(-c3c(F)ccc(NS(=O)(=O)c4cc(Cl)cnc4C)c3F)ccc12
InChIInChI=1S/C20H15ClF2N6O3S/c1-10-16(7-11(21)8-25-10)33(31,32)28-14-4-3-12(22)17(18(14)23)13-5-6-15-19(20(30)24-2)26-9-29(15)27-13/h3-9,28H,1-2H3,(H,24,30)
InChIKeyZHVMTXSNBJDZCX-UHFFFAOYSA-N
MW492.90 g/mol
LogP3.19
Rot. Bonds5

About 2-[3-[(5-chloro-2-methyl-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-methylimidazo[1,5-b]pyridazine-5-carboxamide

2-[3-[(5-chloro-2-methyl-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-methylimidazo[1,5-b]pyridazine-5-carboxamide (PubChem CID 164594614) has the molecular formula C20H15ClF2N6O3S and a molecular weight of 492.90 g/mol. Its IUPAC name is 2-[3-[(5-chloro-2-methyl-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-methylimidazo[1,5-b]pyridazine-5-carboxamide.

Molecular Properties

Compound Name2-[3-[(5-chloro-2-methyl-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-methylimidazo[1,5-b]pyridazine-5-carboxamide
PubChem CID164594614
Molecular FormulaC20H15ClF2N6O3S
Molecular Weight492.90 g/mol
Exact Mass492.06
IUPAC Name2-[3-[(5-chloro-2-methyl-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-methylimidazo[1,5-b]pyridazine-5-carboxamide
SMILESCNC(=O)c1ncn2nc(-c3c(F)ccc(NS(=O)(=O)c4cc(Cl)cnc4C)c3F)ccc12
InChIInChI=1S/C20H15ClF2N6O3S/c1-10-16(7-11(21)8-25-10)33(31,32)28-14-4-3-12(22)17(18(14)23)13-5-6-15-19(20(30)24-2)26-9-29(15)27-13/h3-9,28H,1-2H3,(H,24,30)
InChIKeyZHVMTXSNBJDZCX-UHFFFAOYSA-N
XLogP3.19
TPSA118.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.90
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-5-methoxy-N-methylimidazo[1,5-a]pyridine-1-carboxamide
CID 164594101
6-[2-chloro-3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-6-fluorophenyl]-N-methylimidazo[1,5-a]pyridine-1-carboxamide
CID 170356769
6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]imidazo[1,5-a]pyrazine-1-carboxylic acid
CID 164594009
3-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N,1-dimethyl-2-oxoimidazo[1,5-a]pyrimidine-8-carboxamide
CID 170356783
6-[3-[(5-cyano-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-methylimidazo[1,5-a]pyrazine-1-carboxamide
CID 164593981
6-[3-[(5-cyano-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-methylimidazo[1,5-a]pyridine-1-carboxamide
CID 164594652
6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-(oxan-4-ylmethyl)imidazo[1,5-a]pyrazine-1-carboxamide
CID 164593818
5-chloro-N-[3-[(5E)-4-ethenyl-5-(3-oxobutan-2-ylidene)pyrazin-2-yl]-2,4-difluorophenyl]-2-methylpyridine-3-sulfonamide;ethane
CID 164594438
5-chloro-N-[3-[(5E)-4-ethenyl-5-(3-oxobutan-2-ylidene)pyrazin-2-yl]-2,4-difluorophenyl]-2-methylpyridine-3-sulfonamide
CID 164594439
N-[3-(8-acetyl-2-methoxyimidazo[1,5-a]pyrimidin-3-yl)-2,4-difluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide
CID 164593971
5-chloro-N-[4-chloro-3-[(6Z,8E)-1-ethenyl-8-(3-oxobutan-2-ylidene)-2,3-dihydroazocin-5-yl]-2-fluorophenyl]-2-methylpyridine-3-sulfonamide
CID 164593843
N-[3-(3-amino-1H-indazol-6-yl)-2,4-difluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide
CID 156833302

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(5-chloro-2-methyl-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-methylimidazo[1,5-b]pyridazine-5-carboxamide?
The IUPAC name of 2-[3-[(5-chloro-2-methyl-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-methylimidazo[1,5-b]pyridazine-5-carboxamide (CID 164594614) is 2-[3-[(5-chloro-2-methyl-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-methylimidazo[1,5-b]pyridazine-5-carboxamide.
What is the SMILES notation for 2-[3-[(5-chloro-2-methyl-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-methylimidazo[1,5-b]pyridazine-5-carboxamide?
The canonical SMILES for 2-[3-[(5-chloro-2-methyl-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-methylimidazo[1,5-b]pyridazine-5-carboxamide is CNC(=O)c1ncn2nc(-c3c(F)ccc(NS(=O)(=O)c4cc(Cl)cnc4C)c3F)ccc12.
What is the InChIKey of 2-[3-[(5-chloro-2-methyl-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-methylimidazo[1,5-b]pyridazine-5-carboxamide?
The InChIKey is ZHVMTXSNBJDZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF2N6O3S/c1-10-16(7-11(21)8-25-10)33(31,32)28-14-4-3-12(22)17(18(14)23)13-5-6-15-19(20(30)24-2)26-9-29(15)27-13/h3-9,28H,1-2H3,(H,24,30).
What are the key properties of 2-[3-[(5-chloro-2-methyl-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-methylimidazo[1,5-b]pyridazine-5-carboxamide?
2-[3-[(5-chloro-2-methyl-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-methylimidazo[1,5-b]pyridazine-5-carboxamide has a molecular weight of 492.90 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(5-chloro-2-methyl-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-methylimidazo[1,5-b]pyridazine-5-carboxamide is sourced from PubChem (CID 164594614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).