4-[[2-(dimethylamino)-2-oxoethyl]amino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid

C13H17N5O3 — CID 115937542

IUPAC4-[[2-(dimethylamino)-2-oxoethyl]amino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid
SMILESCc1nn(C)c2ncc(C(=O)O)c(NCC(=O)N(C)C)c12
InChIInChI=1S/C13H17N5O3/c1-7-10-11(14-6-9(19)17(2)3)8(13(20)21)5-15-12(10)18(4)16-7/h5H,6H2,1-4H3,(H,14,15)(H,20,21)
InChIKeyCCDDFXLHKFSNNA-UHFFFAOYSA-N
MW291.31 g/mol
LogP0.48
Rot. Bonds4

About 4-[[2-(dimethylamino)-2-oxoethyl]amino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid

4-[[2-(dimethylamino)-2-oxoethyl]amino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid (PubChem CID 115937542) has the molecular formula C13H17N5O3 and a molecular weight of 291.31 g/mol. Its IUPAC name is 4-[[2-(dimethylamino)-2-oxoethyl]amino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(dimethylamino)-2-oxoethyl]amino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid
PubChem CID115937542
Molecular FormulaC13H17N5O3
Molecular Weight291.31 g/mol
Exact Mass291.13
IUPAC Name4-[[2-(dimethylamino)-2-oxoethyl]amino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid
SMILESCc1nn(C)c2ncc(C(=O)O)c(NCC(=O)N(C)C)c12
InChIInChI=1S/C13H17N5O3/c1-7-10-11(14-6-9(19)17(2)3)8(13(20)21)5-15-12(10)18(4)16-7/h5H,6H2,1-4H3,(H,14,15)(H,20,21)
InChIKeyCCDDFXLHKFSNNA-UHFFFAOYSA-N
XLogP0.48
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[2-(dimethylamino)-2-oxoethyl]amino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid with MolForge

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Related Compounds

Etazolate
CID 3277
Tracazolate
CID 5522
Cartazolate
CID 37015
Ridine-5-carboxylic acid ethyl ester
CID 14590509
Ethyl 4-amino-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 10016303
Ethyl 4-amino-1-ethyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 10083347
Ethyl 1-ethyl-6-methyl-4-(methylamino)pyrazolo[3,4-b]pyridine-5-carboxylate
CID 10244446
Prop-2-enyl 4-amino-6-methyl-1-prop-2-enylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 10355880
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
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-(dimethylamino)-2-oxoethyl]amino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid?
The IUPAC name of 4-[[2-(dimethylamino)-2-oxoethyl]amino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid (CID 115937542) is 4-[[2-(dimethylamino)-2-oxoethyl]amino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 4-[[2-(dimethylamino)-2-oxoethyl]amino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid?
The canonical SMILES for 4-[[2-(dimethylamino)-2-oxoethyl]amino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid is Cc1nn(C)c2ncc(C(=O)O)c(NCC(=O)N(C)C)c12.
What is the InChIKey of 4-[[2-(dimethylamino)-2-oxoethyl]amino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid?
The InChIKey is CCDDFXLHKFSNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O3/c1-7-10-11(14-6-9(19)17(2)3)8(13(20)21)5-15-12(10)18(4)16-7/h5H,6H2,1-4H3,(H,14,15)(H,20,21).
What are the key properties of 4-[[2-(dimethylamino)-2-oxoethyl]amino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid?
4-[[2-(dimethylamino)-2-oxoethyl]amino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid has a molecular weight of 291.31 g/mol, XLogP of 0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(dimethylamino)-2-oxoethyl]amino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 115937542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).