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

C13H17N5O3 — CID 115937689

IUPAC1,3-dimethyl-4-(morpholin-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxylic acid
SMILESCc1nn(C)c2ncc(C(=O)O)c(NN3CCOCC3)c12
InChIInChI=1S/C13H17N5O3/c1-8-10-11(16-18-3-5-21-6-4-18)9(13(19)20)7-14-12(10)17(2)15-8/h7H,3-6H2,1-2H3,(H,14,16)(H,19,20)
InChIKeyDGLXZIZEAVOHSK-UHFFFAOYSA-N
MW291.31 g/mol
LogP0.63
Rot. Bonds3

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

1,3-dimethyl-4-(morpholin-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxylic acid (PubChem CID 115937689) has the molecular formula C13H17N5O3 and a molecular weight of 291.31 g/mol. Its IUPAC name is 1,3-dimethyl-4-(morpholin-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name1,3-dimethyl-4-(morpholin-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxylic acid
PubChem CID115937689
Molecular FormulaC13H17N5O3
Molecular Weight291.31 g/mol
Exact Mass291.13
IUPAC Name1,3-dimethyl-4-(morpholin-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxylic acid
SMILESCc1nn(C)c2ncc(C(=O)O)c(NN3CCOCC3)c12
InChIInChI=1S/C13H17N5O3/c1-8-10-11(16-18-3-5-21-6-4-18)9(13(19)20)7-14-12(10)17(2)15-8/h7H,3-6H2,1-2H3,(H,14,16)(H,19,20)
InChIKeyDGLXZIZEAVOHSK-UHFFFAOYSA-N
XLogP0.63
TPSA92.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1,3-dimethyl-4-(oxan-3-ylamino)pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 115937633
4-(2,2-dimethylpropylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 115937569
1,3-dimethyl-4-[[1-(methylamino)-1-oxopropan-2-yl]amino]pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 115937591
4-[[2-(dimethylamino)-2-oxoethyl]amino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 115937542
4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 114987279
1,3-dimethyl-4-(3-methylbutylamino)pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 115937505
1,3-dimethyl-4-[(2-methylcyclopentyl)amino]pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 115937632
1,3-dimethyl-4-[(3-methylcyclopentyl)amino]pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 114546940
4-[(3-hydroxy-2-methylpropyl)amino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 115937653
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-[(4-hydroxy-2-methylbutyl)amino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 115937659

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-(morpholin-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxylic acid?
The IUPAC name of 1,3-dimethyl-4-(morpholin-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxylic acid (CID 115937689) is 1,3-dimethyl-4-(morpholin-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 1,3-dimethyl-4-(morpholin-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxylic acid?
The canonical SMILES for 1,3-dimethyl-4-(morpholin-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxylic acid is Cc1nn(C)c2ncc(C(=O)O)c(NN3CCOCC3)c12.
What is the InChIKey of 1,3-dimethyl-4-(morpholin-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxylic acid?
The InChIKey is DGLXZIZEAVOHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O3/c1-8-10-11(16-18-3-5-21-6-4-18)9(13(19)20)7-14-12(10)17(2)15-8/h7H,3-6H2,1-2H3,(H,14,16)(H,19,20).
What are the key properties of 1,3-dimethyl-4-(morpholin-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxylic acid?
1,3-dimethyl-4-(morpholin-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxylic acid has a molecular weight of 291.31 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-(morpholin-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 115937689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).