ethyl 6-chloro-1-[4-(methanesulfonamido)-2-methoxyphenyl]pyrazolo[4,3-c]pyridine-3-carboxylate

C17H17ClN4O5S — CID 165125959

IUPACethyl 6-chloro-1-[4-(methanesulfonamido)-2-methoxyphenyl]pyrazolo[4,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1nn(-c2ccc(NS(C)(=O)=O)cc2OC)c2cc(Cl)ncc12
InChIInChI=1S/C17H17ClN4O5S/c1-4-27-17(23)16-11-9-19-15(18)8-13(11)22(20-16)12-6-5-10(7-14(12)26-2)21-28(3,24)25/h5-9,21H,4H2,1-3H3
InChIKeyMGXUDQXUUUHGEB-UHFFFAOYSA-N
MW424.87 g/mol
LogP2.63
Rot. Bonds6

About ethyl 6-chloro-1-[4-(methanesulfonamido)-2-methoxyphenyl]pyrazolo[4,3-c]pyridine-3-carboxylate

ethyl 6-chloro-1-[4-(methanesulfonamido)-2-methoxyphenyl]pyrazolo[4,3-c]pyridine-3-carboxylate (PubChem CID 165125959) has the molecular formula C17H17ClN4O5S and a molecular weight of 424.87 g/mol. Its IUPAC name is ethyl 6-chloro-1-[4-(methanesulfonamido)-2-methoxyphenyl]pyrazolo[4,3-c]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-chloro-1-[4-(methanesulfonamido)-2-methoxyphenyl]pyrazolo[4,3-c]pyridine-3-carboxylate
PubChem CID165125959
Molecular FormulaC17H17ClN4O5S
Molecular Weight424.87 g/mol
Exact Mass424.06
IUPAC Nameethyl 6-chloro-1-[4-(methanesulfonamido)-2-methoxyphenyl]pyrazolo[4,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1nn(-c2ccc(NS(C)(=O)=O)cc2OC)c2cc(Cl)ncc12
InChIInChI=1S/C17H17ClN4O5S/c1-4-27-17(23)16-11-9-19-15(18)8-13(11)22(20-16)12-6-5-10(7-14(12)26-2)21-28(3,24)25/h5-9,21H,4H2,1-3H3
InChIKeyMGXUDQXUUUHGEB-UHFFFAOYSA-N
XLogP2.63
TPSA112.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.87
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[4-[6-chloro-3-(2-piperidin-1-ylethylamino)pyrazolo[4,3-c]pyridin-1-yl]-3-methoxyphenyl]methanesulfonamide
CID 174297737
N-[4-(6-chloro-3-methylpyrazolo[4,3-c]pyridin-1-yl)-3-methoxyphenyl]cyclopropanesulfonamide
CID 174297669
4-[6-chloro-3-[3-(dimethylamino)propylamino]pyrazolo[4,3-c]pyridin-1-yl]-3-methoxy-N-methylbenzenesulfonamide
CID 174297762
ethyl 5-(methanesulfonamido)-2-methylbenzoate
CID 59066715
tert-butyl N-[1-(4-amino-2-methoxyphenyl)-6-chloropyrazolo[4,3-c]pyridin-3-yl]-N-[2-(dimethylamino)ethyl]carbamate
CID 165125866
N-[3-methoxy-4-[3-(2-piperidin-1-ylethylamino)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-1-yl]phenyl]methanesulfonamide
CID 169275520
ethyl 6-chloro-7-methoxy-1-(4-sulfamoylphenyl)benzo[g]indazole-3-carboxylate
CID 67725470
[5-(methanesulfonamido)-2-methoxyphenyl] 3-aminopropanoate
CID 70612631
N-(3-amino-4-methoxyphenyl)methanesulfonamide
CID 10560665
[1-[2-methoxy-4-(propylsulfonylamino)phenyl]-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-yl]methyl-methylcarbamic acid
CID 174172786
N-[4-(aminomethyl)-3-methoxyphenyl]methanesulfonamide
CID 21097532
N-(3-acetyl-4-methoxyphenyl)methanesulfonamide
CID 18615187

Frequently Asked Questions

What is the IUPAC name of ethyl 6-chloro-1-[4-(methanesulfonamido)-2-methoxyphenyl]pyrazolo[4,3-c]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-chloro-1-[4-(methanesulfonamido)-2-methoxyphenyl]pyrazolo[4,3-c]pyridine-3-carboxylate (CID 165125959) is ethyl 6-chloro-1-[4-(methanesulfonamido)-2-methoxyphenyl]pyrazolo[4,3-c]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-chloro-1-[4-(methanesulfonamido)-2-methoxyphenyl]pyrazolo[4,3-c]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-chloro-1-[4-(methanesulfonamido)-2-methoxyphenyl]pyrazolo[4,3-c]pyridine-3-carboxylate is CCOC(=O)c1nn(-c2ccc(NS(C)(=O)=O)cc2OC)c2cc(Cl)ncc12.
What is the InChIKey of ethyl 6-chloro-1-[4-(methanesulfonamido)-2-methoxyphenyl]pyrazolo[4,3-c]pyridine-3-carboxylate?
The InChIKey is MGXUDQXUUUHGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O5S/c1-4-27-17(23)16-11-9-19-15(18)8-13(11)22(20-16)12-6-5-10(7-14(12)26-2)21-28(3,24)25/h5-9,21H,4H2,1-3H3.
What are the key properties of ethyl 6-chloro-1-[4-(methanesulfonamido)-2-methoxyphenyl]pyrazolo[4,3-c]pyridine-3-carboxylate?
ethyl 6-chloro-1-[4-(methanesulfonamido)-2-methoxyphenyl]pyrazolo[4,3-c]pyridine-3-carboxylate has a molecular weight of 424.87 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-chloro-1-[4-(methanesulfonamido)-2-methoxyphenyl]pyrazolo[4,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 165125959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).