4-[2-(4-fluorophenyl)morpholin-4-yl]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid

C19H19FN4O3 — CID 56873629

IUPAC4-[2-(4-fluorophenyl)morpholin-4-yl]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid
SMILESCc1nn(C)c2ncc(C(=O)O)c(N3CCOC(c4ccc(F)cc4)C3)c12
InChIInChI=1S/C19H19FN4O3/c1-11-16-17(14(19(25)26)9-21-18(16)23(2)22-11)24-7-8-27-15(10-24)12-3-5-13(20)6-4-12/h3-6,9,15H,7-8,10H2,1-2H3,(H,25,26)
InChIKeyUBOFAFGOJRLEAY-UHFFFAOYSA-N
MW370.38 g/mol
LogP2.69
Rot. Bonds3

About 4-[2-(4-fluorophenyl)morpholin-4-yl]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid

4-[2-(4-fluorophenyl)morpholin-4-yl]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid (PubChem CID 56873629) has the molecular formula C19H19FN4O3 and a molecular weight of 370.38 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)morpholin-4-yl]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)morpholin-4-yl]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid
PubChem CID56873629
Molecular FormulaC19H19FN4O3
Molecular Weight370.38 g/mol
Exact Mass370.14
IUPAC Name4-[2-(4-fluorophenyl)morpholin-4-yl]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid
SMILESCc1nn(C)c2ncc(C(=O)O)c(N3CCOC(c4ccc(F)cc4)C3)c12
InChIInChI=1S/C19H19FN4O3/c1-11-16-17(14(19(25)26)9-21-18(16)23(2)22-11)24-7-8-27-15(10-24)12-3-5-13(20)6-4-12/h3-6,9,15H,7-8,10H2,1-2H3,(H,25,26)
InChIKeyUBOFAFGOJRLEAY-UHFFFAOYSA-N
XLogP2.69
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[2-(4-fluorophenyl)morpholin-4-yl]-1,3-dimethylpyrazolo[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-(4-hydroxyanilino)-1,3-diphenylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 11476465
Prop-2-enyl 4-amino-6-methyl-1-pent-4-enylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 9994975
Prop-2-enyl 4-amino-6-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 10086279
Ethyl 4-amino-1-benzyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 10086715
Prop-2-enyl 4-amino-6-methyl-1-prop-2-enylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 10355880
Prop-2-enyl 4-amino-6-methyl-1-(3-methylbutyl)pyrazolo[3,4-b]pyridine-5-carboxylate
CID 10357563
Prop-2-enyl 4-amino-6-methyl-1-(3-methylbut-2-enyl)pyrazolo[3,4-b]pyridine-5-carboxylate
CID 10402539
But-3-enyl 4-amino-6-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 10403485
Benzyl 4-amino-6-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 10428093
Prop-2-enyl 4-amino-1-but-3-enyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 10446704
Prop-2-enyl 4-amino-1-butyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 10469381

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)morpholin-4-yl]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid?
The IUPAC name of 4-[2-(4-fluorophenyl)morpholin-4-yl]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid (CID 56873629) is 4-[2-(4-fluorophenyl)morpholin-4-yl]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 4-[2-(4-fluorophenyl)morpholin-4-yl]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid?
The canonical SMILES for 4-[2-(4-fluorophenyl)morpholin-4-yl]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid is Cc1nn(C)c2ncc(C(=O)O)c(N3CCOC(c4ccc(F)cc4)C3)c12.
What is the InChIKey of 4-[2-(4-fluorophenyl)morpholin-4-yl]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid?
The InChIKey is UBOFAFGOJRLEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O3/c1-11-16-17(14(19(25)26)9-21-18(16)23(2)22-11)24-7-8-27-15(10-24)12-3-5-13(20)6-4-12/h3-6,9,15H,7-8,10H2,1-2H3,(H,25,26).
What are the key properties of 4-[2-(4-fluorophenyl)morpholin-4-yl]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid?
4-[2-(4-fluorophenyl)morpholin-4-yl]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid has a molecular weight of 370.38 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)morpholin-4-yl]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 56873629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).