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

C14H18N4O3 — CID 115937633

IUPAC1,3-dimethyl-4-(oxan-3-ylamino)pyrazolo[3,4-b]pyridine-5-carboxylic acid
SMILESCc1nn(C)c2ncc(C(=O)O)c(NC3CCCOC3)c12
InChIInChI=1S/C14H18N4O3/c1-8-11-12(16-9-4-3-5-21-7-9)10(14(19)20)6-15-13(11)18(2)17-8/h6,9H,3-5,7H2,1-2H3,(H,15,16)(H,19,20)
InChIKeyXFOGSUDCQKONOF-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.57
Rot. Bonds3

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

1,3-dimethyl-4-(oxan-3-ylamino)pyrazolo[3,4-b]pyridine-5-carboxylic acid (PubChem CID 115937633) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 1,3-dimethyl-4-(oxan-3-ylamino)pyrazolo[3,4-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name1,3-dimethyl-4-(oxan-3-ylamino)pyrazolo[3,4-b]pyridine-5-carboxylic acid
PubChem CID115937633
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name1,3-dimethyl-4-(oxan-3-ylamino)pyrazolo[3,4-b]pyridine-5-carboxylic acid
SMILESCc1nn(C)c2ncc(C(=O)O)c(NC3CCCOC3)c12
InChIInChI=1S/C14H18N4O3/c1-8-11-12(16-9-4-3-5-21-7-9)10(14(19)20)6-15-13(11)18(2)17-8/h6,9H,3-5,7H2,1-2H3,(H,15,16)(H,19,20)
InChIKeyXFOGSUDCQKONOF-UHFFFAOYSA-N
XLogP1.57
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1,3-dimethyl-4-[(3-methylcyclopentyl)amino]pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 114546940
1,3-dimethyl-4-[(2-methylcyclopentyl)amino]pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 115937632
1,3-dimethyl-4-(morpholin-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 115937689
1,3-dimethyl-4-[[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]amino]pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 136662035
ethyl 4-(cyclopropylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 66733175
4-(cyclopropylamino)-N-methoxy-N,1,3-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 87129251
4-(2,2-dimethylpropylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 115937569
ethyl 4-[(1-ethylpiperidin-4-yl)amino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 133466163
1,3-dimethyl-4-[[1-(methylamino)-1-oxopropan-2-yl]amino]pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 115937591
3-methyl-2-(oxan-3-ylamino)benzoic acid
CID 107112191
4-(cyclopentylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbaldehyde
CID 87129295
4-[[2-(dimethylamino)-2-oxoethyl]amino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 115937542

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-(oxan-3-ylamino)pyrazolo[3,4-b]pyridine-5-carboxylic acid?
The IUPAC name of 1,3-dimethyl-4-(oxan-3-ylamino)pyrazolo[3,4-b]pyridine-5-carboxylic acid (CID 115937633) is 1,3-dimethyl-4-(oxan-3-ylamino)pyrazolo[3,4-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 1,3-dimethyl-4-(oxan-3-ylamino)pyrazolo[3,4-b]pyridine-5-carboxylic acid?
The canonical SMILES for 1,3-dimethyl-4-(oxan-3-ylamino)pyrazolo[3,4-b]pyridine-5-carboxylic acid is Cc1nn(C)c2ncc(C(=O)O)c(NC3CCCOC3)c12.
What is the InChIKey of 1,3-dimethyl-4-(oxan-3-ylamino)pyrazolo[3,4-b]pyridine-5-carboxylic acid?
The InChIKey is XFOGSUDCQKONOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-8-11-12(16-9-4-3-5-21-7-9)10(14(19)20)6-15-13(11)18(2)17-8/h6,9H,3-5,7H2,1-2H3,(H,15,16)(H,19,20).
What are the key properties of 1,3-dimethyl-4-(oxan-3-ylamino)pyrazolo[3,4-b]pyridine-5-carboxylic acid?
1,3-dimethyl-4-(oxan-3-ylamino)pyrazolo[3,4-b]pyridine-5-carboxylic acid has a molecular weight of 290.32 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-(oxan-3-ylamino)pyrazolo[3,4-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 115937633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).