1-[(2R)-butan-2-yl]-6-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid

C12H15N3O2 — CID 28842366

IUPAC1-[(2R)-butan-2-yl]-6-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid
SMILESCC[C@@H](C)n1ncc2c(C(=O)O)cc(C)nc21
InChIInChI=1S/C12H15N3O2/c1-4-8(3)15-11-10(6-13-15)9(12(16)17)5-7(2)14-11/h5-6,8H,4H2,1-3H3,(H,16,17)/t8-/m1/s1
InChIKeyIQLFFGJLHQSXST-MRVPVSSYSA-N
MW233.27 g/mol
LogP2.41
Rot. Bonds3

About 1-[(2R)-butan-2-yl]-6-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid

1-[(2R)-butan-2-yl]-6-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid (PubChem CID 28842366) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-[(2R)-butan-2-yl]-6-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(2R)-butan-2-yl]-6-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid
PubChem CID28842366
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name1-[(2R)-butan-2-yl]-6-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid
SMILESCC[C@@H](C)n1ncc2c(C(=O)O)cc(C)nc21
InChIInChI=1S/C12H15N3O2/c1-4-8(3)15-11-10(6-13-15)9(12(16)17)5-7(2)14-11/h5-6,8H,4H2,1-3H3,(H,16,17)/t8-/m1/s1
InChIKeyIQLFFGJLHQSXST-MRVPVSSYSA-N
XLogP2.41
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carbonyl)piperidine-4-carboxylic acid
CID 119349273
(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridin-4-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 110921318
1-[(2S)-butan-2-yl]-6-methyl-N,N-bis(prop-2-enyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 95152320
(2R)-2-[(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]-4-methylpentanoic acid
CID 119363231
(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridin-4-yl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 111429817
(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridin-4-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119560611
3-[(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]-4-methylbenzoic acid
CID 120522318
3-[(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]benzoic acid
CID 120522396
(2R)-1-(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carbonyl)piperidine-2-carboxylic acid
CID 120537402
N-(3-amino-2-methylpropyl)-1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 119997513
1-butan-2-yl-6-methyl-N-[2-(methylamino)propyl]pyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride
CID 120831658
(2R)-3-[1-[(2S)-butan-2-yl]-6-methylpyrazolo[3,4-b]pyridin-4-yl]-2-cyano-N-methyl-3-oxopropanamide
CID 98129140

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-butan-2-yl]-6-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 1-[(2R)-butan-2-yl]-6-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid (CID 28842366) is 1-[(2R)-butan-2-yl]-6-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 1-[(2R)-butan-2-yl]-6-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 1-[(2R)-butan-2-yl]-6-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid is CC[C@@H](C)n1ncc2c(C(=O)O)cc(C)nc21.
What is the InChIKey of 1-[(2R)-butan-2-yl]-6-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid?
The InChIKey is IQLFFGJLHQSXST-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-4-8(3)15-11-10(6-13-15)9(12(16)17)5-7(2)14-11/h5-6,8H,4H2,1-3H3,(H,16,17)/t8-/m1/s1.
What are the key properties of 1-[(2R)-butan-2-yl]-6-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid?
1-[(2R)-butan-2-yl]-6-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid has a molecular weight of 233.27 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-butan-2-yl]-6-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 28842366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).