1,3-dimethyl-4-[2-(trifluoromethyl)morpholin-4-yl]pyrazolo[3,4-b]pyridine-5-carboxylic acid

C14H15F3N4O3 — CID 56879872

IUPAC1,3-dimethyl-4-[2-(trifluoromethyl)morpholin-4-yl]pyrazolo[3,4-b]pyridine-5-carboxylic acid
SMILESCc1nn(C)c2ncc(C(=O)O)c(N3CCOC(C(F)(F)F)C3)c12
InChIInChI=1S/C14H15F3N4O3/c1-7-10-11(21-3-4-24-9(6-21)14(15,16)17)8(13(22)23)5-18-12(10)20(2)19-7/h5,9H,3-4,6H2,1-2H3,(H,22,23)
InChIKeyPUWNJMOXPHGGEP-UHFFFAOYSA-N
MW344.29 g/mol
LogP1.74
Rot. Bonds2

About 1,3-dimethyl-4-[2-(trifluoromethyl)morpholin-4-yl]pyrazolo[3,4-b]pyridine-5-carboxylic acid

1,3-dimethyl-4-[2-(trifluoromethyl)morpholin-4-yl]pyrazolo[3,4-b]pyridine-5-carboxylic acid (PubChem CID 56879872) has the molecular formula C14H15F3N4O3 and a molecular weight of 344.29 g/mol. Its IUPAC name is 1,3-dimethyl-4-[2-(trifluoromethyl)morpholin-4-yl]pyrazolo[3,4-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name1,3-dimethyl-4-[2-(trifluoromethyl)morpholin-4-yl]pyrazolo[3,4-b]pyridine-5-carboxylic acid
PubChem CID56879872
Molecular FormulaC14H15F3N4O3
Molecular Weight344.29 g/mol
Exact Mass344.11
IUPAC Name1,3-dimethyl-4-[2-(trifluoromethyl)morpholin-4-yl]pyrazolo[3,4-b]pyridine-5-carboxylic acid
SMILESCc1nn(C)c2ncc(C(=O)O)c(N3CCOC(C(F)(F)F)C3)c12
InChIInChI=1S/C14H15F3N4O3/c1-7-10-11(21-3-4-24-9(6-21)14(15,16)17)8(13(22)23)5-18-12(10)20(2)19-7/h5,9H,3-4,6H2,1-2H3,(H,22,23)
InChIKeyPUWNJMOXPHGGEP-UHFFFAOYSA-N
XLogP1.74
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.29
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1,3-dimethyl-4-[2-(trifluoromethyl)morpholin-4-yl]pyrazolo[3,4-b]pyridine-5-carboxylic acid with MolForge

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Related Compounds

ethyl 3-cyclopropyl-1-methyl-4-morpholino-1H-pyrazolo[3,4-b]pyridine-5-carboxylate
CID 2818961
Ethyl 4-amino-1-ethyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 10083347
Ethyl 4-amino-6-methyl-1-propylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 10445420
Ethyl 4-amino-1-butyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 10446156
Ethyl 4-amino-6-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 14590501
Ethyl 1-ethyl-4-[methyl(tetrahydro-2H-pyran-4-yl)amino]-1H-pyrazolo[3,4-b]pyridine-5-carboxylate
CID 44561082
ethyl 4-chloro-1-ethyl-3-methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate
CID 1473447
6-methyl-1-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 9167414
ethyl 1-ethyl-3-methyl-4-[(2-morpholinoethyl)amino]-1H-pyrazolo[3,4-b]pyridine-5-carboxylate
CID 1473451
Ethyl 4-amino-1-hexyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 14590503
Ethyl 4-amino-6-methyl-1-(3-methylbutyl)pyrazolo[3,4-b]pyridine-5-carboxylate
CID 14590507
Ethyl 4-amino-6-methyl-1-(2-methylbutyl)pyrazolo[3,4-b]pyridine-5-carboxylate
CID 14590511

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-[2-(trifluoromethyl)morpholin-4-yl]pyrazolo[3,4-b]pyridine-5-carboxylic acid?
The IUPAC name of 1,3-dimethyl-4-[2-(trifluoromethyl)morpholin-4-yl]pyrazolo[3,4-b]pyridine-5-carboxylic acid (CID 56879872) is 1,3-dimethyl-4-[2-(trifluoromethyl)morpholin-4-yl]pyrazolo[3,4-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 1,3-dimethyl-4-[2-(trifluoromethyl)morpholin-4-yl]pyrazolo[3,4-b]pyridine-5-carboxylic acid?
The canonical SMILES for 1,3-dimethyl-4-[2-(trifluoromethyl)morpholin-4-yl]pyrazolo[3,4-b]pyridine-5-carboxylic acid is Cc1nn(C)c2ncc(C(=O)O)c(N3CCOC(C(F)(F)F)C3)c12.
What is the InChIKey of 1,3-dimethyl-4-[2-(trifluoromethyl)morpholin-4-yl]pyrazolo[3,4-b]pyridine-5-carboxylic acid?
The InChIKey is PUWNJMOXPHGGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4O3/c1-7-10-11(21-3-4-24-9(6-21)14(15,16)17)8(13(22)23)5-18-12(10)20(2)19-7/h5,9H,3-4,6H2,1-2H3,(H,22,23).
What are the key properties of 1,3-dimethyl-4-[2-(trifluoromethyl)morpholin-4-yl]pyrazolo[3,4-b]pyridine-5-carboxylic acid?
1,3-dimethyl-4-[2-(trifluoromethyl)morpholin-4-yl]pyrazolo[3,4-b]pyridine-5-carboxylic acid has a molecular weight of 344.29 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-[2-(trifluoromethyl)morpholin-4-yl]pyrazolo[3,4-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 56879872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).