N-[2-chloro-4-fluoro-3-(8-methoxy-3H-pyrazolo[5,4-c]isoquinolin-7-yl)phenyl]-3-fluoropropane-1-sulfonamide

C20H17ClF2N4O3S — CID 73427151

IUPACN-[2-chloro-4-fluoro-3-(8-methoxy-3H-pyrazolo[5,4-c]isoquinolin-7-yl)phenyl]-3-fluoropropane-1-sulfonamide
SMILESCOc1cc2c(cnc3[nH]ncc32)cc1-c1c(F)ccc(NS(=O)(=O)CCCF)c1Cl
InChIInChI=1S/C20H17ClF2N4O3S/c1-30-17-8-12-11(9-24-20-14(12)10-25-26-20)7-13(17)18-15(23)3-4-16(19(18)21)27-31(28,29)6-2-5-22/h3-4,7-10,27H,2,5-6H2,1H3,(H,24,25,26)
InChIKeyQHKLWEMOPLBBPP-UHFFFAOYSA-N
MW466.90 g/mol
LogP4.68
Rot. Bonds7

About N-[2-chloro-4-fluoro-3-(8-methoxy-3H-pyrazolo[5,4-c]isoquinolin-7-yl)phenyl]-3-fluoropropane-1-sulfonamide

N-[2-chloro-4-fluoro-3-(8-methoxy-3H-pyrazolo[5,4-c]isoquinolin-7-yl)phenyl]-3-fluoropropane-1-sulfonamide (PubChem CID 73427151) has the molecular formula C20H17ClF2N4O3S and a molecular weight of 466.90 g/mol. Its IUPAC name is N-[2-chloro-4-fluoro-3-(8-methoxy-3H-pyrazolo[5,4-c]isoquinolin-7-yl)phenyl]-3-fluoropropane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-chloro-4-fluoro-3-(8-methoxy-3H-pyrazolo[5,4-c]isoquinolin-7-yl)phenyl]-3-fluoropropane-1-sulfonamide
PubChem CID73427151
Molecular FormulaC20H17ClF2N4O3S
Molecular Weight466.90 g/mol
Exact Mass466.07
IUPAC NameN-[2-chloro-4-fluoro-3-(8-methoxy-3H-pyrazolo[5,4-c]isoquinolin-7-yl)phenyl]-3-fluoropropane-1-sulfonamide
SMILESCOc1cc2c(cnc3[nH]ncc32)cc1-c1c(F)ccc(NS(=O)(=O)CCCF)c1Cl
InChIInChI=1S/C20H17ClF2N4O3S/c1-30-17-8-12-11(9-24-20-14(12)10-25-26-20)7-13(17)18-15(23)3-4-16(19(18)21)27-31(28,29)6-2-5-22/h3-4,7-10,27H,2,5-6H2,1H3,(H,24,25,26)
InChIKeyQHKLWEMOPLBBPP-UHFFFAOYSA-N
XLogP4.68
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.90
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-chloro-4-fluoro-3-(8-methoxy-3H-pyrazolo[5,4-c]isoquinolin-7-yl)phenyl]-3-fluoropropane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-chloro-3-(1-cyclopropyl-8-methyl-2H-pyrazolo[3,4-c]isoquinolin-7-yl)-4-fluorophenyl]-3-fluoropropane-1-sulfonamide
CID 122523090
N-(3-amino-2-chloro-4-fluorophenyl)-3-fluoropropane-1-sulfonamide
CID 67042982
N-(4-chloro-1H-indazol-5-yl)-2-methoxyethanesulfonamide
CID 138046747
N-[2,4-difluoro-3-(1H-imidazo[4,5-c]isoquinolin-7-yl)phenyl]propane-1-sulfonamide
CID 158284899
N-[2,4-difluoro-3-[2-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]-3-fluoropropane-1-sulfonamide
CID 58251988
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-(5-chloro-2-methoxyphenyl)-3-(propylamino)propane-1-sulfonamide
CID 106059590
3-chloro-N-(2-methoxyphenyl)propane-1-sulfonamide
CID 43653977
N-[3-[4-amino-8-methoxy-2-[2-(methylamino)pyrimidin-5-yl]quinazolin-6-yl]-2-fluorophenyl]-3-fluoropropane-1-sulfonamide
CID 156677445
N-[3-[4-amino-2-(5-aminopyrazin-2-yl)-8-methoxyquinazolin-6-yl]-2-fluorophenyl]-3-fluoropropane-1-sulfonamide
CID 156677448
4-amino-N-(4-chloro-2-methoxy-5-methylphenyl)butane-1-sulfonamide
CID 106056915
N-(5-chloro-2-methoxyphenyl)-4-(propylamino)butane-1-sulfonamide
CID 106059622

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-fluoro-3-(8-methoxy-3H-pyrazolo[5,4-c]isoquinolin-7-yl)phenyl]-3-fluoropropane-1-sulfonamide?
The IUPAC name of N-[2-chloro-4-fluoro-3-(8-methoxy-3H-pyrazolo[5,4-c]isoquinolin-7-yl)phenyl]-3-fluoropropane-1-sulfonamide (CID 73427151) is N-[2-chloro-4-fluoro-3-(8-methoxy-3H-pyrazolo[5,4-c]isoquinolin-7-yl)phenyl]-3-fluoropropane-1-sulfonamide.
What is the SMILES notation for N-[2-chloro-4-fluoro-3-(8-methoxy-3H-pyrazolo[5,4-c]isoquinolin-7-yl)phenyl]-3-fluoropropane-1-sulfonamide?
The canonical SMILES for N-[2-chloro-4-fluoro-3-(8-methoxy-3H-pyrazolo[5,4-c]isoquinolin-7-yl)phenyl]-3-fluoropropane-1-sulfonamide is COc1cc2c(cnc3[nH]ncc32)cc1-c1c(F)ccc(NS(=O)(=O)CCCF)c1Cl.
What is the InChIKey of N-[2-chloro-4-fluoro-3-(8-methoxy-3H-pyrazolo[5,4-c]isoquinolin-7-yl)phenyl]-3-fluoropropane-1-sulfonamide?
The InChIKey is QHKLWEMOPLBBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClF2N4O3S/c1-30-17-8-12-11(9-24-20-14(12)10-25-26-20)7-13(17)18-15(23)3-4-16(19(18)21)27-31(28,29)6-2-5-22/h3-4,7-10,27H,2,5-6H2,1H3,(H,24,25,26).
What are the key properties of N-[2-chloro-4-fluoro-3-(8-methoxy-3H-pyrazolo[5,4-c]isoquinolin-7-yl)phenyl]-3-fluoropropane-1-sulfonamide?
N-[2-chloro-4-fluoro-3-(8-methoxy-3H-pyrazolo[5,4-c]isoquinolin-7-yl)phenyl]-3-fluoropropane-1-sulfonamide has a molecular weight of 466.90 g/mol, XLogP of 4.68, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-fluoro-3-(8-methoxy-3H-pyrazolo[5,4-c]isoquinolin-7-yl)phenyl]-3-fluoropropane-1-sulfonamide is sourced from PubChem (CID 73427151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).