1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid

C10H11N5O2 — CID 84818658

IUPAC1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1c1ncnc2[nH]ncc12
InChIInChI=1S/C10H11N5O2/c16-10(17)7-2-1-3-15(7)9-6-4-13-14-8(6)11-5-12-9/h4-5,7H,1-3H2,(H,16,17)(H,11,12,13,14)
InChIKeyUPUSSAWQFBFKDG-UHFFFAOYSA-N
MW233.23 g/mol
LogP0.41
Rot. Bonds2

About 1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid

1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid (PubChem CID 84818658) has the molecular formula C10H11N5O2 and a molecular weight of 233.23 g/mol. Its IUPAC name is 1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
PubChem CID84818658
Molecular FormulaC10H11N5O2
Molecular Weight233.23 g/mol
Exact Mass233.09
IUPAC Name1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1c1ncnc2[nH]ncc12
InChIInChI=1S/C10H11N5O2/c16-10(17)7-2-1-3-15(7)9-6-4-13-14-8(6)11-5-12-9/h4-5,7H,1-3H2,(H,16,17)(H,11,12,13,14)
InChIKeyUPUSSAWQFBFKDG-UHFFFAOYSA-N
XLogP0.41
TPSA95.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxylic acid
CID 84818655
4-(azetidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine
CID 131087765
4-(2-methylazetidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine
CID 178104944
4-[2-(5-bromopyrimidin-2-yl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
CID 138019722
1-thieno[2,3-d]pyrimidin-4-ylpiperidine-2-carboxylic acid
CID 43140039
4-(2-carboxypyrrolidin-1-yl)quinazoline-7-carboxylic acid;hydrochloride
CID 20982587
4-[2-(3-methylbutyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
CID 133376968
(3S)-N-(cyclopropylmethyl)-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 97076436
(2R)-1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 122051882
(2R)-1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 28846771
N,1-dimethyl-5-[(2S)-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-2-yl]pyrrole-2-carboxamide
CID 129336048
ethyl 1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxylate
CID 42226847

Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid (CID 84818658) is 1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1c1ncnc2[nH]ncc12.
What is the InChIKey of 1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is UPUSSAWQFBFKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2/c16-10(17)7-2-1-3-15(7)9-6-4-13-14-8(6)11-5-12-9/h4-5,7H,1-3H2,(H,16,17)(H,11,12,13,14).
What are the key properties of 1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid?
1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 233.23 g/mol, XLogP of 0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 84818658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).