2-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-5-ol

C18H18N6O — CID 135911761

IUPAC2-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-5-ol
SMILESNc1ncnc2c1c(-c1cc3cc(O)ccc3[nH]1)nn2C1CCCC1
InChIInChI=1S/C18H18N6O/c19-17-15-16(14-8-10-7-12(25)5-6-13(10)22-14)23-24(11-3-1-2-4-11)18(15)21-9-20-17/h5-9,11,22,25H,1-4H2,(H2,19,20,21)
InChIKeyHDOJSRPKBQDXJH-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.38
Rot. Bonds2

About 2-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-5-ol

2-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-5-ol (PubChem CID 135911761) has the molecular formula C18H18N6O and a molecular weight of 334.38 g/mol. Its IUPAC name is 2-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-5-ol.

Molecular Properties

Compound Name2-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-5-ol
PubChem CID135911761
Molecular FormulaC18H18N6O
Molecular Weight334.38 g/mol
Exact Mass334.15
IUPAC Name2-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-5-ol
SMILESNc1ncnc2c1c(-c1cc3cc(O)ccc3[nH]1)nn2C1CCCC1
InChIInChI=1S/C18H18N6O/c19-17-15-16(14-8-10-7-12(25)5-6-13(10)22-14)23-24(11-3-1-2-4-11)18(15)21-9-20-17/h5-9,11,22,25H,1-4H2,(H2,19,20,21)
InChIKeyHDOJSRPKBQDXJH-UHFFFAOYSA-N
XLogP3.38
TPSA105.64 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-5-ol?
The IUPAC name of 2-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-5-ol (CID 135911761) is 2-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-5-ol.
What is the SMILES notation for 2-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-5-ol?
The canonical SMILES for 2-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-5-ol is Nc1ncnc2c1c(-c1cc3cc(O)ccc3[nH]1)nn2C1CCCC1.
What is the InChIKey of 2-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-5-ol?
The InChIKey is HDOJSRPKBQDXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O/c19-17-15-16(14-8-10-7-12(25)5-6-13(10)22-14)23-24(11-3-1-2-4-11)18(15)21-9-20-17/h5-9,11,22,25H,1-4H2,(H2,19,20,21).
What are the key properties of 2-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-5-ol?
2-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-5-ol has a molecular weight of 334.38 g/mol, XLogP of 3.38, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-5-ol is sourced from PubChem (CID 135911761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).