6-methyl-1-(1-methylpiperidin-4-yl)pyrazolo[3,4-b]pyridine-5-carboxylic acid

C14H18N4O2 — CID 43329014

IUPAC6-methyl-1-(1-methylpiperidin-4-yl)pyrazolo[3,4-b]pyridine-5-carboxylic acid
SMILESCc1nc2c(cnn2C2CCN(C)CC2)cc1C(=O)O
InChIInChI=1S/C14H18N4O2/c1-9-12(14(19)20)7-10-8-15-18(13(10)16-9)11-3-5-17(2)6-4-11/h7-8,11H,3-6H2,1-2H3,(H,19,20)
InChIKeyZEJDWZPFHOZVIF-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.70
Rot. Bonds2

About 6-methyl-1-(1-methylpiperidin-4-yl)pyrazolo[3,4-b]pyridine-5-carboxylic acid

6-methyl-1-(1-methylpiperidin-4-yl)pyrazolo[3,4-b]pyridine-5-carboxylic acid (PubChem CID 43329014) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 6-methyl-1-(1-methylpiperidin-4-yl)pyrazolo[3,4-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name6-methyl-1-(1-methylpiperidin-4-yl)pyrazolo[3,4-b]pyridine-5-carboxylic acid
PubChem CID43329014
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name6-methyl-1-(1-methylpiperidin-4-yl)pyrazolo[3,4-b]pyridine-5-carboxylic acid
SMILESCc1nc2c(cnn2C2CCN(C)CC2)cc1C(=O)O
InChIInChI=1S/C14H18N4O2/c1-9-12(14(19)20)7-10-8-15-18(13(10)16-9)11-3-5-17(2)6-4-11/h7-8,11H,3-6H2,1-2H3,(H,19,20)
InChIKeyZEJDWZPFHOZVIF-UHFFFAOYSA-N
XLogP1.70
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-5-[1-(1-methylpiperidin-4-yl)pyrazolo[3,4-b]pyridin-5-yl]pyrazolo[3,4-b]pyridine
CID 167943942
1-(1-ethylpiperidin-4-yl)-6-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 16794511
[4-(methylamino)piperidin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone;dihydrochloride
CID 119559795
6-tert-butyl-1-cyclopentylpyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 115571620
5,12-dimethyl-6,12-diazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-4-carboxylic acid
CID 112562021
6-methyl-1-[(5-methylfuran-2-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 43329016
(4-methoxypiperidin-1-yl)-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone
CID 56810635
tert-butyl 4-(5-bromopyrazolo[3,4-b]pyridin-1-yl)piperidine-1-carboxylate
CID 167328407
(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-(4-methylsulfanylpiperidin-1-yl)methanone
CID 136557477
4-hydroxy-1-(1-methylpyrrolidin-3-yl)pyrazole-5-carboxylic acid
CID 117231831
[1-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidin-4-yl]-phenylmethanone
CID 41310175
6-methyl-1-(thiophen-3-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 43329020

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(1-methylpiperidin-4-yl)pyrazolo[3,4-b]pyridine-5-carboxylic acid?
The IUPAC name of 6-methyl-1-(1-methylpiperidin-4-yl)pyrazolo[3,4-b]pyridine-5-carboxylic acid (CID 43329014) is 6-methyl-1-(1-methylpiperidin-4-yl)pyrazolo[3,4-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 6-methyl-1-(1-methylpiperidin-4-yl)pyrazolo[3,4-b]pyridine-5-carboxylic acid?
The canonical SMILES for 6-methyl-1-(1-methylpiperidin-4-yl)pyrazolo[3,4-b]pyridine-5-carboxylic acid is Cc1nc2c(cnn2C2CCN(C)CC2)cc1C(=O)O.
What is the InChIKey of 6-methyl-1-(1-methylpiperidin-4-yl)pyrazolo[3,4-b]pyridine-5-carboxylic acid?
The InChIKey is ZEJDWZPFHOZVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-9-12(14(19)20)7-10-8-15-18(13(10)16-9)11-3-5-17(2)6-4-11/h7-8,11H,3-6H2,1-2H3,(H,19,20).
What are the key properties of 6-methyl-1-(1-methylpiperidin-4-yl)pyrazolo[3,4-b]pyridine-5-carboxylic acid?
6-methyl-1-(1-methylpiperidin-4-yl)pyrazolo[3,4-b]pyridine-5-carboxylic acid has a molecular weight of 274.32 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(1-methylpiperidin-4-yl)pyrazolo[3,4-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 43329014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).