4-(4-morpholin-4-ylphenyl)-1-(4-morpholin-4-yl-2-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid

C29H32N6O4 — CID 126743242

IUPAC4-(4-morpholin-4-ylphenyl)-1-(4-morpholin-4-yl-2-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
SMILESCC(C)c1nn(-c2cc(N3CCOCC3)ccn2)c2nc(C(=O)O)cc(-c3ccc(N4CCOCC4)cc3)c12
InChIInChI=1S/C29H32N6O4/c1-19(2)27-26-23(20-3-5-21(6-4-20)33-9-13-38-14-10-33)18-24(29(36)37)31-28(26)35(32-27)25-17-22(7-8-30-25)34-11-15-39-16-12-34/h3-8,17-19H,9-16H2,1-2H3,(H,36,37)
InChIKeyHQDMQDDAFYVSCF-UHFFFAOYSA-N
MW528.61 g/mol
LogP3.98
Rot. Bonds6

About 4-(4-morpholin-4-ylphenyl)-1-(4-morpholin-4-yl-2-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid

4-(4-morpholin-4-ylphenyl)-1-(4-morpholin-4-yl-2-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid (PubChem CID 126743242) has the molecular formula C29H32N6O4 and a molecular weight of 528.61 g/mol. Its IUPAC name is 4-(4-morpholin-4-ylphenyl)-1-(4-morpholin-4-yl-2-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name4-(4-morpholin-4-ylphenyl)-1-(4-morpholin-4-yl-2-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
PubChem CID126743242
Molecular FormulaC29H32N6O4
Molecular Weight528.61 g/mol
Exact Mass528.25
IUPAC Name4-(4-morpholin-4-ylphenyl)-1-(4-morpholin-4-yl-2-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
SMILESCC(C)c1nn(-c2cc(N3CCOCC3)ccn2)c2nc(C(=O)O)cc(-c3ccc(N4CCOCC4)cc3)c12
InChIInChI=1S/C29H32N6O4/c1-19(2)27-26-23(20-3-5-21(6-4-20)33-9-13-38-14-10-33)18-24(29(36)37)31-28(26)35(32-27)25-17-22(7-8-30-25)34-11-15-39-16-12-34/h3-8,17-19H,9-16H2,1-2H3,(H,36,37)
InChIKeyHQDMQDDAFYVSCF-UHFFFAOYSA-N
XLogP3.98
TPSA105.84 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.61
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-(4-morpholin-4-ylphenyl)-1-(4-morpholin-4-yl-2-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid with MolForge

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Related Compounds

4-(4-morpholin-4-ylphenyl)-3-propan-2-yl-1-[4-(trifluoromethoxy)phenyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126743803
1-(3-cyanophenyl)-4-(4-morpholin-4-ylphenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126743328
1-(3-fluorophenyl)-4-[4-[methyl(oxan-4-yl)amino]phenyl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126743259
1-(2-bromo-4-pyridinyl)-4-(4-methoxypiperidin-1-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;4-(4-methoxypiperidin-1-yl)-1-(2-morpholin-4-yl-4-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;morpholine
CID 161475921
N-methylsulfonyl-4-(4-morpholin-4-ylphenyl)-3-propan-2-yl-1-[3-(trifluoromethoxy)phenyl]pyrazolo[5,4-b]pyridine-6-carboxamide
CID 126742730
3-(1-methylcyclobutyl)-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126741913
1-cyclohexyl-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126741501
4-(4-morpholin-4-ylphenyl)-3-(oxolan-2-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126743537
propan-2-yl 4-(4-morpholin-4-ylphenyl)-1-phenyl-3-propan-2-yloxypyrazolo[5,4-b]pyridine-6-carboxylate
CID 126742388
3-cyclobutyl-1-(3-fluoro-4-methylphenyl)-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126742814
4-[4-(dimethylamino)phenyl]-1-(2-oxo-1H-pyridin-4-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126765596
ethyl 4-(4-morpholin-4-ylphenyl)-3-propan-2-yl-1-pyrrolidin-3-ylpyrazolo[5,4-b]pyridine-6-carboxylate
CID 126742917

Frequently Asked Questions

What is the IUPAC name of 4-(4-morpholin-4-ylphenyl)-1-(4-morpholin-4-yl-2-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
The IUPAC name of 4-(4-morpholin-4-ylphenyl)-1-(4-morpholin-4-yl-2-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid (CID 126743242) is 4-(4-morpholin-4-ylphenyl)-1-(4-morpholin-4-yl-2-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 4-(4-morpholin-4-ylphenyl)-1-(4-morpholin-4-yl-2-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
The canonical SMILES for 4-(4-morpholin-4-ylphenyl)-1-(4-morpholin-4-yl-2-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid is CC(C)c1nn(-c2cc(N3CCOCC3)ccn2)c2nc(C(=O)O)cc(-c3ccc(N4CCOCC4)cc3)c12.
What is the InChIKey of 4-(4-morpholin-4-ylphenyl)-1-(4-morpholin-4-yl-2-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
The InChIKey is HQDMQDDAFYVSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N6O4/c1-19(2)27-26-23(20-3-5-21(6-4-20)33-9-13-38-14-10-33)18-24(29(36)37)31-28(26)35(32-27)25-17-22(7-8-30-25)34-11-15-39-16-12-34/h3-8,17-19H,9-16H2,1-2H3,(H,36,37).
What are the key properties of 4-(4-morpholin-4-ylphenyl)-1-(4-morpholin-4-yl-2-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
4-(4-morpholin-4-ylphenyl)-1-(4-morpholin-4-yl-2-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid has a molecular weight of 528.61 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-morpholin-4-ylphenyl)-1-(4-morpholin-4-yl-2-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 126743242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).