ethyl 3-(4-ethylphenyl)-6-[6-(methanesulfonamido)-3-pyridinyl]-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate

C28H31N5O5S — CID 155684740

IUPACethyl 3-(4-ethylphenyl)-6-[6-(methanesulfonamido)-3-pyridinyl]-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(NS(C)(=O)=O)nc2)nc2c1c(-c1ccc(CC)cc1)nn2C1CCCCO1
InChIInChI=1S/C28H31N5O5S/c1-4-18-9-11-19(12-10-18)26-25-21(28(34)37-5-2)16-22(20-13-14-23(29-17-20)32-39(3,35)36)30-27(25)33(31-26)24-8-6-7-15-38-24/h9-14,16-17,24H,4-8,15H2,1-3H3,(H,29,32)
InChIKeyPRIPTRPOUNERCZ-UHFFFAOYSA-N
MW549.65 g/mol
LogP4.97
Rot. Bonds8

About ethyl 3-(4-ethylphenyl)-6-[6-(methanesulfonamido)-3-pyridinyl]-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate

ethyl 3-(4-ethylphenyl)-6-[6-(methanesulfonamido)-3-pyridinyl]-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 155684740) has the molecular formula C28H31N5O5S and a molecular weight of 549.65 g/mol. Its IUPAC name is ethyl 3-(4-ethylphenyl)-6-[6-(methanesulfonamido)-3-pyridinyl]-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-(4-ethylphenyl)-6-[6-(methanesulfonamido)-3-pyridinyl]-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate
PubChem CID155684740
Molecular FormulaC28H31N5O5S
Molecular Weight549.65 g/mol
Exact Mass549.20
IUPAC Nameethyl 3-(4-ethylphenyl)-6-[6-(methanesulfonamido)-3-pyridinyl]-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(NS(C)(=O)=O)nc2)nc2c1c(-c1ccc(CC)cc1)nn2C1CCCCO1
InChIInChI=1S/C28H31N5O5S/c1-4-18-9-11-19(12-10-18)26-25-21(28(34)37-5-2)16-22(20-13-14-23(29-17-20)32-39(3,35)36)30-27(25)33(31-26)24-8-6-7-15-38-24/h9-14,16-17,24H,4-8,15H2,1-3H3,(H,29,32)
InChIKeyPRIPTRPOUNERCZ-UHFFFAOYSA-N
XLogP4.97
TPSA125.30 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500549.65
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze ethyl 3-(4-ethylphenyl)-6-[6-(methanesulfonamido)-3-pyridinyl]-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate with MolForge

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Related Compounds

ethyl 3-(4-ethylphenyl)-1-methyl-6-[4-(pyridin-3-ylsulfamoyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxylate
CID 155684783
ethyl 6-chloro-3-iodo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate
CID 86678158
1,3-bis(4-ethylphenyl)-6-[5-(methanesulfonamido)-2-pyridinyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 155684677
methyl 5-[3-[2,4-difluoro-3-(methanesulfonamido)benzoyl]-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-5-yl]pyridine-2-carboxylate
CID 139369721
ethyl 7-hydroxy-1-(oxan-2-yl)indazole-5-carboxylate
CID 66920492
ethyl 4-[2-(oxan-2-yl)pyrazol-3-yl]benzoate
CID 135072205
ethyl 1-(oxan-2-yl)-5-phenylmethoxypyrazole-3-carboxylate
CID 156847124
3-ethynyl-6-(4-hydroxyphenyl)-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 136645779
N-[2,6-difluoro-3-[1-(oxan-2-yl)-5-phenylpyrazolo[5,4-b]pyridine-3-carbonyl]phenyl]methanesulfonamide
CID 155669890
ethyl 2-[2-fluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]-3,6-dihydro-2H-pyran-5-carboxylate
CID 176914505
ethyl 6-[(2-methyloxolan-3-yl)amino]pyridine-3-carboxylate
CID 82728827
ethyl 4-(8-chloro-3-methylisoquinolin-6-yl)-5-methyl-1-(oxan-2-yl)pyrazole-3-carboxylate
CID 140921217

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-ethylphenyl)-6-[6-(methanesulfonamido)-3-pyridinyl]-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate?
The IUPAC name of ethyl 3-(4-ethylphenyl)-6-[6-(methanesulfonamido)-3-pyridinyl]-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate (CID 155684740) is ethyl 3-(4-ethylphenyl)-6-[6-(methanesulfonamido)-3-pyridinyl]-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate.
What is the SMILES notation for ethyl 3-(4-ethylphenyl)-6-[6-(methanesulfonamido)-3-pyridinyl]-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate?
The canonical SMILES for ethyl 3-(4-ethylphenyl)-6-[6-(methanesulfonamido)-3-pyridinyl]-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate is CCOC(=O)c1cc(-c2ccc(NS(C)(=O)=O)nc2)nc2c1c(-c1ccc(CC)cc1)nn2C1CCCCO1.
What is the InChIKey of ethyl 3-(4-ethylphenyl)-6-[6-(methanesulfonamido)-3-pyridinyl]-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate?
The InChIKey is PRIPTRPOUNERCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O5S/c1-4-18-9-11-19(12-10-18)26-25-21(28(34)37-5-2)16-22(20-13-14-23(29-17-20)32-39(3,35)36)30-27(25)33(31-26)24-8-6-7-15-38-24/h9-14,16-17,24H,4-8,15H2,1-3H3,(H,29,32).
What are the key properties of ethyl 3-(4-ethylphenyl)-6-[6-(methanesulfonamido)-3-pyridinyl]-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate?
ethyl 3-(4-ethylphenyl)-6-[6-(methanesulfonamido)-3-pyridinyl]-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 549.65 g/mol, XLogP of 4.97, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-ethylphenyl)-6-[6-(methanesulfonamido)-3-pyridinyl]-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 155684740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).