1-(oxetan-3-yl)pyrazolo[3,4-d]pyrimidine-6-carboxylic acid

C9H8N4O3 — CID 166981646

IUPAC1-(oxetan-3-yl)pyrazolo[3,4-d]pyrimidine-6-carboxylic acid
SMILESO=C(O)c1ncc2cnn(C3COC3)c2n1
InChIInChI=1S/C9H8N4O3/c14-9(15)7-10-1-5-2-11-13(8(5)12-7)6-3-16-4-6/h1-2,6H,3-4H2,(H,14,15)
InChIKeyMIJSOQPCWIQVHC-UHFFFAOYSA-N
MW220.19 g/mol
LogP0.10
Rot. Bonds2

About 1-(oxetan-3-yl)pyrazolo[3,4-d]pyrimidine-6-carboxylic acid

1-(oxetan-3-yl)pyrazolo[3,4-d]pyrimidine-6-carboxylic acid (PubChem CID 166981646) has the molecular formula C9H8N4O3 and a molecular weight of 220.19 g/mol. Its IUPAC name is 1-(oxetan-3-yl)pyrazolo[3,4-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name1-(oxetan-3-yl)pyrazolo[3,4-d]pyrimidine-6-carboxylic acid
PubChem CID166981646
Molecular FormulaC9H8N4O3
Molecular Weight220.19 g/mol
Exact Mass220.06
IUPAC Name1-(oxetan-3-yl)pyrazolo[3,4-d]pyrimidine-6-carboxylic acid
SMILESO=C(O)c1ncc2cnn(C3COC3)c2n1
InChIInChI=1S/C9H8N4O3/c14-9(15)7-10-1-5-2-11-13(8(5)12-7)6-3-16-4-6/h1-2,6H,3-4H2,(H,14,15)
InChIKeyMIJSOQPCWIQVHC-UHFFFAOYSA-N
XLogP0.10
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-1-cyclopropylpyrazolo[3,4-d]pyrimidine
CID 134607575
methyl 3-(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)cyclopentane-1-carboxylate
CID 165171718
6-methoxycarbonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2-carboxylic acid
CID 83919128
5-iodo-1-(oxolan-3-yl)pyrazole-4-carboxylic acid
CID 130570199
6-methyl-1-(1-methylpiperidin-4-yl)pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 43329014
N-methoxy-N-methyl-5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrimidine-2-carboxamide
CID 175667340
3-(oxetan-3-yl)imidazole-4-carboxylic acid
CID 84731727
6-chloro-N-methyl-1-(oxetan-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 178075729
1-[(1R,5R)-3-bicyclo[3.1.0]hexanyl]-6-methylsulfonylpyrazolo[3,4-d]pyrimidine
CID 98047097
4-[(1-cyclohexylpyrazolo[3,4-d]pyrimidin-6-yl)amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 59686558
5,6,7,8-tetrahydroquinazoline-2-carboxylic acid
CID 83914864
methyl 1-(oxetan-3-yl)-6-oxopyridazine-3-carboxylate
CID 139512246

Frequently Asked Questions

What is the IUPAC name of 1-(oxetan-3-yl)pyrazolo[3,4-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 1-(oxetan-3-yl)pyrazolo[3,4-d]pyrimidine-6-carboxylic acid (CID 166981646) is 1-(oxetan-3-yl)pyrazolo[3,4-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 1-(oxetan-3-yl)pyrazolo[3,4-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 1-(oxetan-3-yl)pyrazolo[3,4-d]pyrimidine-6-carboxylic acid is O=C(O)c1ncc2cnn(C3COC3)c2n1.
What is the InChIKey of 1-(oxetan-3-yl)pyrazolo[3,4-d]pyrimidine-6-carboxylic acid?
The InChIKey is MIJSOQPCWIQVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O3/c14-9(15)7-10-1-5-2-11-13(8(5)12-7)6-3-16-4-6/h1-2,6H,3-4H2,(H,14,15).
What are the key properties of 1-(oxetan-3-yl)pyrazolo[3,4-d]pyrimidine-6-carboxylic acid?
1-(oxetan-3-yl)pyrazolo[3,4-d]pyrimidine-6-carboxylic acid has a molecular weight of 220.19 g/mol, XLogP of 0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxetan-3-yl)pyrazolo[3,4-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 166981646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).