ethyl 4-(4-hydroxypiperidin-1-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate;4-(4-methoxypiperidin-1-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid

C41H46N8O6 — CID 157219502

IUPACethyl 4-(4-hydroxypiperidin-1-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate;4-(4-methoxypiperidin-1-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
SMILESCCOC(=O)c1cc(N2CCC(O)CC2)c2c(C)nn(-c3ccccc3)c2n1.COC1CCN(c2cc(C(=O)O)nc3c2c(C)nn3-c2ccccc2)CC1
InChIInChI=1S/C21H24N4O3.C20H22N4O3/c1-3-28-21(27)17-13-18(24-11-9-16(26)10-12-24)19-14(2)23-25(20(19)22-17)15-7-5-4-6-8-15;1-13-18-17(23-10-8-15(27-2)9-11-23)12-16(20(25)26)21-19(18)24(22-13)14-6-4-3-5-7-14/h4-8,13,16,26H,3,9-12H2,1-2H3;3-7,12,15H,8-11H2,1-2H3,(H,25,26)
InChIKeyASUUDRRTUHQREM-UHFFFAOYSA-N
MW746.87 g/mol
LogP5.91
Rot. Bonds8

About ethyl 4-(4-hydroxypiperidin-1-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate;4-(4-methoxypiperidin-1-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid

ethyl 4-(4-hydroxypiperidin-1-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate;4-(4-methoxypiperidin-1-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid (PubChem CID 157219502) has the molecular formula C41H46N8O6 and a molecular weight of 746.87 g/mol. Its IUPAC name is ethyl 4-(4-hydroxypiperidin-1-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate;4-(4-methoxypiperidin-1-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Nameethyl 4-(4-hydroxypiperidin-1-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate;4-(4-methoxypiperidin-1-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
PubChem CID157219502
Molecular FormulaC41H46N8O6
Molecular Weight746.87 g/mol
Exact Mass746.35
IUPAC Nameethyl 4-(4-hydroxypiperidin-1-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate;4-(4-methoxypiperidin-1-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
SMILESCCOC(=O)c1cc(N2CCC(O)CC2)c2c(C)nn(-c3ccccc3)c2n1.COC1CCN(c2cc(C(=O)O)nc3c2c(C)nn3-c2ccccc2)CC1
InChIInChI=1S/C21H24N4O3.C20H22N4O3/c1-3-28-21(27)17-13-18(24-11-9-16(26)10-12-24)19-14(2)23-25(20(19)22-17)15-7-5-4-6-8-15;1-13-18-17(23-10-8-15(27-2)9-11-23)12-16(20(25)26)21-19(18)24(22-13)14-6-4-3-5-7-14/h4-8,13,16,26H,3,9-12H2,1-2H3;3-7,12,15H,8-11H2,1-2H3,(H,25,26)
InChIKeyASUUDRRTUHQREM-UHFFFAOYSA-N
XLogP5.91
TPSA160.96 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds8
Heavy Atoms55
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500746.87
LogP ≤ 55.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze ethyl 4-(4-hydroxypiperidin-1-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate;4-(4-methoxypiperidin-1-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid with MolForge

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Related Compounds

1-Cyclohexyl-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126741501
3-Cyclobutyl-4-[4-[2-methoxyethyl(methyl)amino]phenyl]-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126741509
3-(1-Methylcyclobutyl)-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126741913
1-Cyclopropyl-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126742013
4-(4-Morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126742083
3-Cyclobutyl-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126742219
1-(3-Fluorophenyl)-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126742312
3-Methyl-4-(4-morpholinophenyl)-1-phenyl-1H-pyrazolo[3,4-b]pyridine-6-carboxylic acid
CID 126742476
4-[4-(4-Hydroxypiperidin-1-yl)phenyl]-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126742908
3-Methyl-4-(6-morpholin-4-yl-3-pyridinyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126742967
3-(Hydroxymethyl)-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126743063
3-Methyl-4-[4-[methyl(oxan-4-yl)amino]phenyl]-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126743581

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-hydroxypiperidin-1-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate;4-(4-methoxypiperidin-1-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
The IUPAC name of ethyl 4-(4-hydroxypiperidin-1-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate;4-(4-methoxypiperidin-1-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid (CID 157219502) is ethyl 4-(4-hydroxypiperidin-1-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate;4-(4-methoxypiperidin-1-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid.
What is the SMILES notation for ethyl 4-(4-hydroxypiperidin-1-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate;4-(4-methoxypiperidin-1-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
The canonical SMILES for ethyl 4-(4-hydroxypiperidin-1-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate;4-(4-methoxypiperidin-1-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid is CCOC(=O)c1cc(N2CCC(O)CC2)c2c(C)nn(-c3ccccc3)c2n1.COC1CCN(c2cc(C(=O)O)nc3c2c(C)nn3-c2ccccc2)CC1.
What is the InChIKey of ethyl 4-(4-hydroxypiperidin-1-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate;4-(4-methoxypiperidin-1-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
The InChIKey is ASUUDRRTUHQREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3.C20H22N4O3/c1-3-28-21(27)17-13-18(24-11-9-16(26)10-12-24)19-14(2)23-25(20(19)22-17)15-7-5-4-6-8-15;1-13-18-17(23-10-8-15(27-2)9-11-23)12-16(20(25)26)21-19(18)24(22-13)14-6-4-3-5-7-14/h4-8,13,16,26H,3,9-12H2,1-2H3;3-7,12,15H,8-11H2,1-2H3,(H,25,26).
What are the key properties of ethyl 4-(4-hydroxypiperidin-1-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate;4-(4-methoxypiperidin-1-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
ethyl 4-(4-hydroxypiperidin-1-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate;4-(4-methoxypiperidin-1-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid has a molecular weight of 746.87 g/mol, XLogP of 5.91, 8 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-hydroxypiperidin-1-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate;4-(4-methoxypiperidin-1-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 157219502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).