6-[2-chloro-3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-6-fluorophenyl]-N-methylimidazo[1,5-a]pyridine-1-carboxamide

C21H16Cl2FN5O4S — CID 170356769

IUPAC6-[2-chloro-3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-6-fluorophenyl]-N-methylimidazo[1,5-a]pyridine-1-carboxamide
SMILESCNC(=O)c1ncn2cc(-c3c(F)ccc(NS(=O)(=O)c4cc(Cl)cnc4OC)c3Cl)ccc12
InChIInChI=1S/C21H16Cl2FN5O4S/c1-25-20(30)19-15-6-3-11(9-29(15)10-27-19)17-13(24)4-5-14(18(17)23)28-34(31,32)16-7-12(22)8-26-21(16)33-2/h3-10,28H,1-2H3,(H,25,30)
InChIKeyCKAQSQGENGYXCK-UHFFFAOYSA-N
MW524.36 g/mol
LogP4.01
Rot. Bonds6

About 6-[2-chloro-3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-6-fluorophenyl]-N-methylimidazo[1,5-a]pyridine-1-carboxamide

6-[2-chloro-3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-6-fluorophenyl]-N-methylimidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 170356769) has the molecular formula C21H16Cl2FN5O4S and a molecular weight of 524.36 g/mol. Its IUPAC name is 6-[2-chloro-3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-6-fluorophenyl]-N-methylimidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound Name6-[2-chloro-3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-6-fluorophenyl]-N-methylimidazo[1,5-a]pyridine-1-carboxamide
PubChem CID170356769
Molecular FormulaC21H16Cl2FN5O4S
Molecular Weight524.36 g/mol
Exact Mass523.03
IUPAC Name6-[2-chloro-3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-6-fluorophenyl]-N-methylimidazo[1,5-a]pyridine-1-carboxamide
SMILESCNC(=O)c1ncn2cc(-c3c(F)ccc(NS(=O)(=O)c4cc(Cl)cnc4OC)c3Cl)ccc12
InChIInChI=1S/C21H16Cl2FN5O4S/c1-25-20(30)19-15-6-3-11(9-29(15)10-27-19)17-13(24)4-5-14(18(17)23)28-34(31,32)16-7-12(22)8-26-21(16)33-2/h3-10,28H,1-2H3,(H,25,30)
InChIKeyCKAQSQGENGYXCK-UHFFFAOYSA-N
XLogP4.01
TPSA114.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.36
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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]-5-methoxy-N-methylimidazo[1,5-a]pyridine-1-carboxamide
CID 164594101
6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]imidazo[1,5-a]pyrazine-1-carboxylic acid
CID 164594009
6-[2-chloro-3-[(5-chloro-2-methoxy-3-pyridinyl)-sulfinoamino]-6-fluorophenyl]-1-(methylcarbamoyl)imidazo[1,5-a]pyridine
CID 175520463
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
5-chloro-N-[2,4-difluoro-3-[1-(1H-pyrazol-5-yl)imidazo[1,5-a]pyridin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide
CID 164593757
6-[3-[(5-cyano-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-methylimidazo[1,5-a]pyrazine-1-carboxamide
CID 164593981
2-[3-[(5-chloro-2-methyl-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-methylimidazo[1,5-b]pyridazine-5-carboxamide
CID 164594614
N-[3-(8-acetyl-2-methoxyimidazo[1,5-a]pyrimidin-3-yl)-2,4-difluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide
CID 164593971
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
N-[3-(3-amino-1H-indazol-6-yl)-2,4-difluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide
CID 156833302
N-[3-[1-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]imidazo[1,5-a]pyridin-6-yl]-2,4-difluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide
CID 164594213

Frequently Asked Questions

What is the IUPAC name of 6-[2-chloro-3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-6-fluorophenyl]-N-methylimidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of 6-[2-chloro-3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-6-fluorophenyl]-N-methylimidazo[1,5-a]pyridine-1-carboxamide (CID 170356769) is 6-[2-chloro-3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-6-fluorophenyl]-N-methylimidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for 6-[2-chloro-3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-6-fluorophenyl]-N-methylimidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for 6-[2-chloro-3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-6-fluorophenyl]-N-methylimidazo[1,5-a]pyridine-1-carboxamide is CNC(=O)c1ncn2cc(-c3c(F)ccc(NS(=O)(=O)c4cc(Cl)cnc4OC)c3Cl)ccc12.
What is the InChIKey of 6-[2-chloro-3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-6-fluorophenyl]-N-methylimidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is CKAQSQGENGYXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2FN5O4S/c1-25-20(30)19-15-6-3-11(9-29(15)10-27-19)17-13(24)4-5-14(18(17)23)28-34(31,32)16-7-12(22)8-26-21(16)33-2/h3-10,28H,1-2H3,(H,25,30).
What are the key properties of 6-[2-chloro-3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-6-fluorophenyl]-N-methylimidazo[1,5-a]pyridine-1-carboxamide?
6-[2-chloro-3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-6-fluorophenyl]-N-methylimidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 524.36 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-chloro-3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-6-fluorophenyl]-N-methylimidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 170356769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).