3-[(dimethylamino)methyl]-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid;3-(methylaminomethyl)-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid

C51H52N10O6 — CID 157229546

IUPAC3-[(dimethylamino)methyl]-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid;3-(methylaminomethyl)-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
SMILESCN(C)Cc1nn(-c2ccccc2)c2nc(C(=O)O)cc(-c3ccc(N4CCOCC4)cc3)c12.CNCc1nn(-c2ccccc2)c2nc(C(=O)O)cc(-c3ccc(N4CCOCC4)cc3)c12
InChIInChI=1S/C26H27N5O3.C25H25N5O3/c1-29(2)17-23-24-21(18-8-10-19(11-9-18)30-12-14-34-15-13-30)16-22(26(32)33)27-25(24)31(28-23)20-6-4-3-5-7-20;1-26-16-22-23-20(17-7-9-18(10-8-17)29-11-13-33-14-12-29)15-21(25(31)32)27-24(23)30(28-22)19-5-3-2-4-6-19/h3-11,16H,12-15,17H2,1-2H3,(H,32,33);2-10,15,26H,11-14,16H2,1H3,(H,31,32)
InChIKeyATYDIFVUYHRINE-UHFFFAOYSA-N
MW901.04 g/mol
LogP7.03
Rot. Bonds12

About 3-[(dimethylamino)methyl]-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid;3-(methylaminomethyl)-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid

3-[(dimethylamino)methyl]-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid;3-(methylaminomethyl)-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid (PubChem CID 157229546) has the molecular formula C51H52N10O6 and a molecular weight of 901.04 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid;3-(methylaminomethyl)-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid;3-(methylaminomethyl)-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
PubChem CID157229546
Molecular FormulaC51H52N10O6
Molecular Weight901.04 g/mol
Exact Mass900.41
IUPAC Name3-[(dimethylamino)methyl]-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid;3-(methylaminomethyl)-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
SMILESCN(C)Cc1nn(-c2ccccc2)c2nc(C(=O)O)cc(-c3ccc(N4CCOCC4)cc3)c12.CNCc1nn(-c2ccccc2)c2nc(C(=O)O)cc(-c3ccc(N4CCOCC4)cc3)c12
InChIInChI=1S/C26H27N5O3.C25H25N5O3/c1-29(2)17-23-24-21(18-8-10-19(11-9-18)30-12-14-34-15-13-30)16-22(26(32)33)27-25(24)31(28-23)20-6-4-3-5-7-20;1-26-16-22-23-20(17-7-9-18(10-8-17)29-11-13-33-14-12-29)15-21(25(31)32)27-24(23)30(28-22)19-5-3-2-4-6-19/h3-11,16H,12-15,17H2,1-2H3,(H,32,33);2-10,15,26H,11-14,16H2,1H3,(H,31,32)
InChIKeyATYDIFVUYHRINE-UHFFFAOYSA-N
XLogP7.03
TPSA176.23 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500901.04
LogP ≤ 57.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Analyze 3-[(dimethylamino)methyl]-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid;3-(methylaminomethyl)-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid with MolForge

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Related Compounds

5-[8-morpholin-4-yl-2-[(E)-2-(5,6,7,8-tetrahydroquinolin-2-yl)ethenyl]imidazo[1,2-b]pyridazin-3-yl]pyridine-2-carboxylic acid
CID 117728355
4-[4-(Diethylamino)phenyl]-1-phenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 57328408
4-[4-(Dimethylamino)phenyl]-1-phenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 57328412
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

Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid;3-(methylaminomethyl)-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
The IUPAC name of 3-[(dimethylamino)methyl]-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid;3-(methylaminomethyl)-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid (CID 157229546) is 3-[(dimethylamino)methyl]-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid;3-(methylaminomethyl)-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 3-[(dimethylamino)methyl]-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid;3-(methylaminomethyl)-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
The canonical SMILES for 3-[(dimethylamino)methyl]-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid;3-(methylaminomethyl)-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid is CN(C)Cc1nn(-c2ccccc2)c2nc(C(=O)O)cc(-c3ccc(N4CCOCC4)cc3)c12.CNCc1nn(-c2ccccc2)c2nc(C(=O)O)cc(-c3ccc(N4CCOCC4)cc3)c12.
What is the InChIKey of 3-[(dimethylamino)methyl]-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid;3-(methylaminomethyl)-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
The InChIKey is ATYDIFVUYHRINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O3.C25H25N5O3/c1-29(2)17-23-24-21(18-8-10-19(11-9-18)30-12-14-34-15-13-30)16-22(26(32)33)27-25(24)31(28-23)20-6-4-3-5-7-20;1-26-16-22-23-20(17-7-9-18(10-8-17)29-11-13-33-14-12-29)15-21(25(31)32)27-24(23)30(28-22)19-5-3-2-4-6-19/h3-11,16H,12-15,17H2,1-2H3,(H,32,33);2-10,15,26H,11-14,16H2,1H3,(H,31,32).
What are the key properties of 3-[(dimethylamino)methyl]-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid;3-(methylaminomethyl)-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
3-[(dimethylamino)methyl]-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid;3-(methylaminomethyl)-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid has a molecular weight of 901.04 g/mol, XLogP of 7.03, 12 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid;3-(methylaminomethyl)-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 157229546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).