ethyl 4-(4-acetamidophenyl)-3-cyclobutyl-1-(3,5-difluorophenyl)pyrazolo[5,4-b]pyridine-6-carboxylate

C27H24F2N4O3 — CID 158262095

IUPACethyl 4-(4-acetamidophenyl)-3-cyclobutyl-1-(3,5-difluorophenyl)pyrazolo[5,4-b]pyridine-6-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(NC(C)=O)cc2)c2c(C3CCC3)nn(-c3cc(F)cc(F)c3)c2n1
InChIInChI=1S/C27H24F2N4O3/c1-3-36-27(35)23-14-22(16-7-9-20(10-8-16)30-15(2)34)24-25(17-5-4-6-17)32-33(26(24)31-23)21-12-18(28)11-19(29)13-21/h7-14,17H,3-6H2,1-2H3,(H,30,34)
InChIKeyGHZLYIIHDLFGRQ-UHFFFAOYSA-N
MW490.51 g/mol
LogP5.77
Rot. Bonds6

About ethyl 4-(4-acetamidophenyl)-3-cyclobutyl-1-(3,5-difluorophenyl)pyrazolo[5,4-b]pyridine-6-carboxylate

ethyl 4-(4-acetamidophenyl)-3-cyclobutyl-1-(3,5-difluorophenyl)pyrazolo[5,4-b]pyridine-6-carboxylate (PubChem CID 158262095) has the molecular formula C27H24F2N4O3 and a molecular weight of 490.51 g/mol. Its IUPAC name is ethyl 4-(4-acetamidophenyl)-3-cyclobutyl-1-(3,5-difluorophenyl)pyrazolo[5,4-b]pyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-acetamidophenyl)-3-cyclobutyl-1-(3,5-difluorophenyl)pyrazolo[5,4-b]pyridine-6-carboxylate
PubChem CID158262095
Molecular FormulaC27H24F2N4O3
Molecular Weight490.51 g/mol
Exact Mass490.18
IUPAC Nameethyl 4-(4-acetamidophenyl)-3-cyclobutyl-1-(3,5-difluorophenyl)pyrazolo[5,4-b]pyridine-6-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(NC(C)=O)cc2)c2c(C3CCC3)nn(-c3cc(F)cc(F)c3)c2n1
InChIInChI=1S/C27H24F2N4O3/c1-3-36-27(35)23-14-22(16-7-9-20(10-8-16)30-15(2)34)24-25(17-5-4-6-17)32-33(26(24)31-23)21-12-18(28)11-19(29)13-21/h7-14,17H,3-6H2,1-2H3,(H,30,34)
InChIKeyGHZLYIIHDLFGRQ-UHFFFAOYSA-N
XLogP5.77
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.51
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 4-(4-acetamidophenyl)-3-cyclobutyl-1-(3,5-difluorophenyl)pyrazolo[5,4-b]pyridine-6-carboxylate with MolForge

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Related Compounds

ethyl 3-cyclobutyl-4-[6-(3-methoxypropylamino)-3-pyridinyl]-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate
CID 126741547
ethyl 3-cyclobutyl-4-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate
CID 126741549
3-cyclobutyl-1-(3-fluoro-4-methylphenyl)-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126742814
ethyl 1-cyclohexyl-3-cyclopropyl-4-[6-(dimethylamino)-3-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylate
CID 126741689
ethane;ethyl 3-cyclobutyl-1-(3-methylphenyl)-4-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxylate
CID 145290255
ethyl 4-[6-(4-cyanopiperidin-1-yl)-3-pyridinyl]-3-(3-methoxycyclobutyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate
CID 126741806
ethyl 5-amino-3-cyclopentyl-1-(4-fluorophenyl)pyrazole-4-carboxylate
CID 22309747
methyl 3-cyclobutyl-1-phenyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxylate
CID 126741740
ethyl 3-cyclobutyl-1-(2-methoxy-4-pyridinyl)-4-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxylate
CID 126743604
methyl 3-cyclopropyl-1-(4-fluorophenyl)-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxylate
CID 25247525
methyl 3-cyclobutyl-1-phenyl-4-piperidin-1-ylpyrazolo[5,4-b]pyridine-6-carboxylate
CID 126741500
ethyl 3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]-1-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylate
CID 126742035

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-acetamidophenyl)-3-cyclobutyl-1-(3,5-difluorophenyl)pyrazolo[5,4-b]pyridine-6-carboxylate?
The IUPAC name of ethyl 4-(4-acetamidophenyl)-3-cyclobutyl-1-(3,5-difluorophenyl)pyrazolo[5,4-b]pyridine-6-carboxylate (CID 158262095) is ethyl 4-(4-acetamidophenyl)-3-cyclobutyl-1-(3,5-difluorophenyl)pyrazolo[5,4-b]pyridine-6-carboxylate.
What is the SMILES notation for ethyl 4-(4-acetamidophenyl)-3-cyclobutyl-1-(3,5-difluorophenyl)pyrazolo[5,4-b]pyridine-6-carboxylate?
The canonical SMILES for ethyl 4-(4-acetamidophenyl)-3-cyclobutyl-1-(3,5-difluorophenyl)pyrazolo[5,4-b]pyridine-6-carboxylate is CCOC(=O)c1cc(-c2ccc(NC(C)=O)cc2)c2c(C3CCC3)nn(-c3cc(F)cc(F)c3)c2n1.
What is the InChIKey of ethyl 4-(4-acetamidophenyl)-3-cyclobutyl-1-(3,5-difluorophenyl)pyrazolo[5,4-b]pyridine-6-carboxylate?
The InChIKey is GHZLYIIHDLFGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F2N4O3/c1-3-36-27(35)23-14-22(16-7-9-20(10-8-16)30-15(2)34)24-25(17-5-4-6-17)32-33(26(24)31-23)21-12-18(28)11-19(29)13-21/h7-14,17H,3-6H2,1-2H3,(H,30,34).
What are the key properties of ethyl 4-(4-acetamidophenyl)-3-cyclobutyl-1-(3,5-difluorophenyl)pyrazolo[5,4-b]pyridine-6-carboxylate?
ethyl 4-(4-acetamidophenyl)-3-cyclobutyl-1-(3,5-difluorophenyl)pyrazolo[5,4-b]pyridine-6-carboxylate has a molecular weight of 490.51 g/mol, XLogP of 5.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-acetamidophenyl)-3-cyclobutyl-1-(3,5-difluorophenyl)pyrazolo[5,4-b]pyridine-6-carboxylate is sourced from PubChem (CID 158262095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).