3-[4-amino-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclopentan-1-ol

C17H17N7O — CID 137254515

IUPAC3-[4-amino-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclopentan-1-ol
SMILESNc1ncnc2c1c(-c1cc3cccnc3[nH]1)nn2C1CCC(O)C1
InChIInChI=1S/C17H17N7O/c18-15-13-14(12-6-9-2-1-5-19-16(9)22-12)23-24(17(13)21-8-20-15)10-3-4-11(25)7-10/h1-2,5-6,8,10-11,25H,3-4,7H2,(H,19,22)(H2,18,20,21)
InChIKeyOFXSDEOZNJESCC-UHFFFAOYSA-N
MW335.37 g/mol
LogP2.04
Rot. Bonds2

About 3-[4-amino-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclopentan-1-ol

3-[4-amino-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclopentan-1-ol (PubChem CID 137254515) has the molecular formula C17H17N7O and a molecular weight of 335.37 g/mol. Its IUPAC name is 3-[4-amino-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[4-amino-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclopentan-1-ol
PubChem CID137254515
Molecular FormulaC17H17N7O
Molecular Weight335.37 g/mol
Exact Mass335.15
IUPAC Name3-[4-amino-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclopentan-1-ol
SMILESNc1ncnc2c1c(-c1cc3cccnc3[nH]1)nn2C1CCC(O)C1
InChIInChI=1S/C17H17N7O/c18-15-13-14(12-6-9-2-1-5-19-16(9)22-12)23-24(17(13)21-8-20-15)10-3-4-11(25)7-10/h1-2,5-6,8,10-11,25H,3-4,7H2,(H,19,22)(H2,18,20,21)
InChIKeyOFXSDEOZNJESCC-UHFFFAOYSA-N
XLogP2.04
TPSA118.53 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[4-amino-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclopentan-1-ol?
The IUPAC name of 3-[4-amino-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclopentan-1-ol (CID 137254515) is 3-[4-amino-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclopentan-1-ol.
What is the SMILES notation for 3-[4-amino-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclopentan-1-ol?
The canonical SMILES for 3-[4-amino-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclopentan-1-ol is Nc1ncnc2c1c(-c1cc3cccnc3[nH]1)nn2C1CCC(O)C1.
What is the InChIKey of 3-[4-amino-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclopentan-1-ol?
The InChIKey is OFXSDEOZNJESCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7O/c18-15-13-14(12-6-9-2-1-5-19-16(9)22-12)23-24(17(13)21-8-20-15)10-3-4-11(25)7-10/h1-2,5-6,8,10-11,25H,3-4,7H2,(H,19,22)(H2,18,20,21).
What are the key properties of 3-[4-amino-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclopentan-1-ol?
3-[4-amino-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclopentan-1-ol has a molecular weight of 335.37 g/mol, XLogP of 2.04, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-amino-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclopentan-1-ol is sourced from PubChem (CID 137254515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).