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

C15H20N4O2 — CID 114546940

IUPAC1,3-dimethyl-4-[(3-methylcyclopentyl)amino]pyrazolo[3,4-b]pyridine-5-carboxylic acid
SMILESCc1nn(C)c2ncc(C(=O)O)c(NC3CCC(C)C3)c12
InChIInChI=1S/C15H20N4O2/c1-8-4-5-10(6-8)17-13-11(15(20)21)7-16-14-12(13)9(2)18-19(14)3/h7-8,10H,4-6H2,1-3H3,(H,16,17)(H,20,21)
InChIKeyOBNVUQDXCLQRKA-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.58
Rot. Bonds3

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

1,3-dimethyl-4-[(3-methylcyclopentyl)amino]pyrazolo[3,4-b]pyridine-5-carboxylic acid (PubChem CID 114546940) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1,3-dimethyl-4-[(3-methylcyclopentyl)amino]pyrazolo[3,4-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name1,3-dimethyl-4-[(3-methylcyclopentyl)amino]pyrazolo[3,4-b]pyridine-5-carboxylic acid
PubChem CID114546940
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name1,3-dimethyl-4-[(3-methylcyclopentyl)amino]pyrazolo[3,4-b]pyridine-5-carboxylic acid
SMILESCc1nn(C)c2ncc(C(=O)O)c(NC3CCC(C)C3)c12
InChIInChI=1S/C15H20N4O2/c1-8-4-5-10(6-8)17-13-11(15(20)21)7-16-14-12(13)9(2)18-19(14)3/h7-8,10H,4-6H2,1-3H3,(H,16,17)(H,20,21)
InChIKeyOBNVUQDXCLQRKA-UHFFFAOYSA-N
XLogP2.58
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-dimethyl-4-(oxan-3-ylamino)pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 115937633
1,3-dimethyl-4-[(2-methylcyclopentyl)amino]pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 115937632
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
1,3-dimethyl-4-(morpholin-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 115937689
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
4-(cyclopropylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbaldehyde
CID 87248039
4-[[2-(dimethylamino)-2-oxoethyl]amino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 115937542
ethyl 1,3-dimethyl-4-[(1-propanoylpyrrolidin-3-yl)amino]pyrazolo[3,4-b]pyridine-5-carboxylate
CID 133466557
4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 114987279

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-[(3-methylcyclopentyl)amino]pyrazolo[3,4-b]pyridine-5-carboxylic acid?
The IUPAC name of 1,3-dimethyl-4-[(3-methylcyclopentyl)amino]pyrazolo[3,4-b]pyridine-5-carboxylic acid (CID 114546940) is 1,3-dimethyl-4-[(3-methylcyclopentyl)amino]pyrazolo[3,4-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 1,3-dimethyl-4-[(3-methylcyclopentyl)amino]pyrazolo[3,4-b]pyridine-5-carboxylic acid?
The canonical SMILES for 1,3-dimethyl-4-[(3-methylcyclopentyl)amino]pyrazolo[3,4-b]pyridine-5-carboxylic acid is Cc1nn(C)c2ncc(C(=O)O)c(NC3CCC(C)C3)c12.
What is the InChIKey of 1,3-dimethyl-4-[(3-methylcyclopentyl)amino]pyrazolo[3,4-b]pyridine-5-carboxylic acid?
The InChIKey is OBNVUQDXCLQRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-8-4-5-10(6-8)17-13-11(15(20)21)7-16-14-12(13)9(2)18-19(14)3/h7-8,10H,4-6H2,1-3H3,(H,16,17)(H,20,21).
What are the key properties of 1,3-dimethyl-4-[(3-methylcyclopentyl)amino]pyrazolo[3,4-b]pyridine-5-carboxylic acid?
1,3-dimethyl-4-[(3-methylcyclopentyl)amino]pyrazolo[3,4-b]pyridine-5-carboxylic acid has a molecular weight of 288.35 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-[(3-methylcyclopentyl)amino]pyrazolo[3,4-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 114546940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).