5-[4-amino-1-[(3R)-pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-chlorophenol

C15H15ClN6O — CID 24905312

IUPAC5-[4-amino-1-[(3R)-pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-chlorophenol
SMILESNc1ncnc2c1c(-c1ccc(Cl)c(O)c1)nn2[C@@H]1CCNC1
InChIInChI=1S/C15H15ClN6O/c16-10-2-1-8(5-11(10)23)13-12-14(17)19-7-20-15(12)22(21-13)9-3-4-18-6-9/h1-2,5,7,9,18,23H,3-4,6H2,(H2,17,19,20)/t9-/m1/s1
InChIKeyUBJGLXSFXKIIFY-SECBINFHSA-N
MW330.78 g/mol
LogP1.97
Rot. Bonds2

About 5-[4-amino-1-[(3R)-pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-chlorophenol

5-[4-amino-1-[(3R)-pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-chlorophenol (PubChem CID 24905312) has the molecular formula C15H15ClN6O and a molecular weight of 330.78 g/mol. Its IUPAC name is 5-[4-amino-1-[(3R)-pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-chlorophenol.

Molecular Properties

Compound Name5-[4-amino-1-[(3R)-pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-chlorophenol
PubChem CID24905312
Molecular FormulaC15H15ClN6O
Molecular Weight330.78 g/mol
Exact Mass330.10
IUPAC Name5-[4-amino-1-[(3R)-pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-chlorophenol
SMILESNc1ncnc2c1c(-c1ccc(Cl)c(O)c1)nn2[C@@H]1CCNC1
InChIInChI=1S/C15H15ClN6O/c16-10-2-1-8(5-11(10)23)13-12-14(17)19-7-20-15(12)22(21-13)9-3-4-18-6-9/h1-2,5,7,9,18,23H,3-4,6H2,(H2,17,19,20)/t9-/m1/s1
InChIKeyUBJGLXSFXKIIFY-SECBINFHSA-N
XLogP1.97
TPSA101.88 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.78
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[4-amino-1-[(3R)-pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-chlorophenol?
The IUPAC name of 5-[4-amino-1-[(3R)-pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-chlorophenol (CID 24905312) is 5-[4-amino-1-[(3R)-pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-chlorophenol.
What is the SMILES notation for 5-[4-amino-1-[(3R)-pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-chlorophenol?
The canonical SMILES for 5-[4-amino-1-[(3R)-pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-chlorophenol is Nc1ncnc2c1c(-c1ccc(Cl)c(O)c1)nn2[C@@H]1CCNC1.
What is the InChIKey of 5-[4-amino-1-[(3R)-pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-chlorophenol?
The InChIKey is UBJGLXSFXKIIFY-SECBINFHSA-N. The full InChI is InChI=1S/C15H15ClN6O/c16-10-2-1-8(5-11(10)23)13-12-14(17)19-7-20-15(12)22(21-13)9-3-4-18-6-9/h1-2,5,7,9,18,23H,3-4,6H2,(H2,17,19,20)/t9-/m1/s1.
What are the key properties of 5-[4-amino-1-[(3R)-pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-chlorophenol?
5-[4-amino-1-[(3R)-pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-chlorophenol has a molecular weight of 330.78 g/mol, XLogP of 1.97, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-amino-1-[(3R)-pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-chlorophenol is sourced from PubChem (CID 24905312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).