ethyl 3-(4-ethylphenyl)-1-methyl-6-[4-(pyridin-3-ylsulfamoyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxylate

C29H27N5O4S — CID 155684783

IUPACethyl 3-(4-ethylphenyl)-1-methyl-6-[4-(pyridin-3-ylsulfamoyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(S(=O)(=O)Nc3cccnc3)cc2)nc2c1c(-c1ccc(CC)cc1)nn2C
InChIInChI=1S/C29H27N5O4S/c1-4-19-8-10-21(11-9-19)27-26-24(29(35)38-5-2)17-25(31-28(26)34(3)32-27)20-12-14-23(15-13-20)39(36,37)33-22-7-6-16-30-18-22/h6-18,33H,4-5H2,1-3H3
InChIKeyDWDIBDJWMPAHGR-UHFFFAOYSA-N
MW541.63 g/mol
LogP5.24
Rot. Bonds8

About ethyl 3-(4-ethylphenyl)-1-methyl-6-[4-(pyridin-3-ylsulfamoyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxylate

ethyl 3-(4-ethylphenyl)-1-methyl-6-[4-(pyridin-3-ylsulfamoyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 155684783) has the molecular formula C29H27N5O4S and a molecular weight of 541.63 g/mol. Its IUPAC name is ethyl 3-(4-ethylphenyl)-1-methyl-6-[4-(pyridin-3-ylsulfamoyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-(4-ethylphenyl)-1-methyl-6-[4-(pyridin-3-ylsulfamoyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxylate
PubChem CID155684783
Molecular FormulaC29H27N5O4S
Molecular Weight541.63 g/mol
Exact Mass541.18
IUPAC Nameethyl 3-(4-ethylphenyl)-1-methyl-6-[4-(pyridin-3-ylsulfamoyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(S(=O)(=O)Nc3cccnc3)cc2)nc2c1c(-c1ccc(CC)cc1)nn2C
InChIInChI=1S/C29H27N5O4S/c1-4-19-8-10-21(11-9-19)27-26-24(29(35)38-5-2)17-25(31-28(26)34(3)32-27)20-12-14-23(15-13-20)39(36,37)33-22-7-6-16-30-18-22/h6-18,33H,4-5H2,1-3H3
InChIKeyDWDIBDJWMPAHGR-UHFFFAOYSA-N
XLogP5.24
TPSA116.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.63
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 3-(4-ethylphenyl)-1-methyl-6-[4-(pyridin-3-ylsulfamoyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxylate with MolForge

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Related Compounds

ethyl 3-(4-ethylphenyl)-6-[4-(pyridin-3-ylmethylsulfonyl)phenyl]-2H-pyrazolo[3,4-b]pyridine-4-carboxylate
CID 155684797
methyl 1,3-dimethyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 25247922
N-[3-(benzenesulfonamido)phenyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55721310
2-(2-bromo-4-ethylphenoxy)-N-[4-(pyridin-3-ylsulfamoyl)phenyl]acetamide
CID 30398518
4-ethyl-N-[3-(1-methyltetrazol-5-yl)phenyl]benzenesulfonamide
CID 25419462
[2-(diethylamino)-2-oxoethyl] 1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 46509351
1,3-dimethyl-N-[[4-(methylsulfamoyl)phenyl]methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55586897
4-acetyl-N-pyridin-3-ylbenzenesulfonamide
CID 22750329
4-(3-aminopropyl)-N-pyridin-3-ylbenzenesulfonamide
CID 106033132
ethyl 1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 43021003
1-[(4-methylphenyl)methylsulfonyl]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 43909876
5-[[6-(4-ethylphenyl)-3-pyridinyl]sulfamoyl]-2-methylbenzoic acid
CID 69440425

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-ethylphenyl)-1-methyl-6-[4-(pyridin-3-ylsulfamoyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxylate?
The IUPAC name of ethyl 3-(4-ethylphenyl)-1-methyl-6-[4-(pyridin-3-ylsulfamoyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxylate (CID 155684783) is ethyl 3-(4-ethylphenyl)-1-methyl-6-[4-(pyridin-3-ylsulfamoyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxylate.
What is the SMILES notation for ethyl 3-(4-ethylphenyl)-1-methyl-6-[4-(pyridin-3-ylsulfamoyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxylate?
The canonical SMILES for ethyl 3-(4-ethylphenyl)-1-methyl-6-[4-(pyridin-3-ylsulfamoyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxylate is CCOC(=O)c1cc(-c2ccc(S(=O)(=O)Nc3cccnc3)cc2)nc2c1c(-c1ccc(CC)cc1)nn2C.
What is the InChIKey of ethyl 3-(4-ethylphenyl)-1-methyl-6-[4-(pyridin-3-ylsulfamoyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxylate?
The InChIKey is DWDIBDJWMPAHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N5O4S/c1-4-19-8-10-21(11-9-19)27-26-24(29(35)38-5-2)17-25(31-28(26)34(3)32-27)20-12-14-23(15-13-20)39(36,37)33-22-7-6-16-30-18-22/h6-18,33H,4-5H2,1-3H3.
What are the key properties of ethyl 3-(4-ethylphenyl)-1-methyl-6-[4-(pyridin-3-ylsulfamoyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxylate?
ethyl 3-(4-ethylphenyl)-1-methyl-6-[4-(pyridin-3-ylsulfamoyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 541.63 g/mol, XLogP of 5.24, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-ethylphenyl)-1-methyl-6-[4-(pyridin-3-ylsulfamoyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 155684783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).