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

C16H15N5O2 — CID 122051882

IUPAC(2R)-1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1c1ncnc2c1cnn2-c1ccccc1
InChIInChI=1S/C16H15N5O2/c22-16(23)13-7-4-8-20(13)14-12-9-19-21(15(12)18-10-17-14)11-5-2-1-3-6-11/h1-3,5-6,9-10,13H,4,7-8H2,(H,22,23)/t13-/m1/s1
InChIKeySJCYOTCIWZGSEN-CYBMUJFWSA-N
MW309.33 g/mol
LogP1.87
Rot. Bonds3

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

(2R)-1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid (PubChem CID 122051882) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is (2R)-1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
PubChem CID122051882
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC Name(2R)-1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1c1ncnc2c1cnn2-c1ccccc1
InChIInChI=1S/C16H15N5O2/c22-16(23)13-7-4-8-20(13)14-12-9-19-21(15(12)18-10-17-14)11-5-2-1-3-6-11/h1-3,5-6,9-10,13H,4,7-8H2,(H,22,23)/t13-/m1/s1
InChIKeySJCYOTCIWZGSEN-CYBMUJFWSA-N
XLogP1.87
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid (CID 122051882) is (2R)-1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid is O=C(O)[C@H]1CCCN1c1ncnc2c1cnn2-c1ccccc1.
What is the InChIKey of (2R)-1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is SJCYOTCIWZGSEN-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H15N5O2/c22-16(23)13-7-4-8-20(13)14-12-9-19-21(15(12)18-10-17-14)11-5-2-1-3-6-11/h1-3,5-6,9-10,13H,4,7-8H2,(H,22,23)/t13-/m1/s1.
What are the key properties of (2R)-1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid?
(2R)-1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 309.33 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 122051882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).