4-(2-aminoethylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide

C11H16N6O — CID 86691177

IUPAC4-(2-aminoethylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1nn(C)c2ncc(C(N)=O)c(NCCN)c12
InChIInChI=1S/C11H16N6O/c1-6-8-9(14-4-3-12)7(10(13)18)5-15-11(8)17(2)16-6/h5H,3-4,12H2,1-2H3,(H2,13,18)(H,14,15)
InChIKeyMYDWPLKQQYUHKQ-UHFFFAOYSA-N
MW248.29 g/mol
LogP-0.25
Rot. Bonds4

About 4-(2-aminoethylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide

4-(2-aminoethylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 86691177) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is 4-(2-aminoethylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-(2-aminoethylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID86691177
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Name4-(2-aminoethylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1nn(C)c2ncc(C(N)=O)c(NCCN)c12
InChIInChI=1S/C11H16N6O/c1-6-8-9(14-4-3-12)7(10(13)18)5-15-11(8)17(2)16-6/h5H,3-4,12H2,1-2H3,(H2,13,18)(H,14,15)
InChIKeyMYDWPLKQQYUHKQ-UHFFFAOYSA-N
XLogP-0.25
TPSA111.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1,3-dimethyl-4-(3-methylbutylamino)pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 115937505
4-(5-hydroxypentylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 107317940
1,3-dimethyl-4-(pent-4-ynylamino)pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 106222360
4-(2,2-dimethylpropylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 115937569
4-[2-(2-hydroxyethoxy)ethylamino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 115937618
ethyl 1,3-dimethyl-4-[[(E)-pent-3-enyl]amino]pyrazolo[3,4-b]pyridine-5-carboxylate
CID 133458162
4-[[2-(dimethylamino)-2-oxoethyl]amino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 115937542
acetic acid;1,3-dimethyl-4-[2-(1,2,4-triazol-1-yl)ethylamino]pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 154909314
4-[(3-hydroxy-2-methylpropyl)amino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 115937653
4-[(4-hydroxy-2-methylbutyl)amino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 115937659
N-benzyl-4-(benzylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 50826708
ethyl 4-(cyclopropylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 66733175

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 4-(2-aminoethylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 86691177) is 4-(2-aminoethylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-(2-aminoethylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 4-(2-aminoethylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide is Cc1nn(C)c2ncc(C(N)=O)c(NCCN)c12.
What is the InChIKey of 4-(2-aminoethylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is MYDWPLKQQYUHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c1-6-8-9(14-4-3-12)7(10(13)18)5-15-11(8)17(2)16-6/h5H,3-4,12H2,1-2H3,(H2,13,18)(H,14,15).
What are the key properties of 4-(2-aminoethylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide?
4-(2-aminoethylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 248.29 g/mol, XLogP of -0.25, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 86691177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).