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

C19H20N6O — CID 135911775

IUPAC2-(4-amino-1-cyclohexylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-5-ol
SMILESNc1ncnc2c1c(-c1cc3cc(O)ccc3[nH]1)nn2C1CCCCC1
InChIInChI=1S/C19H20N6O/c20-18-16-17(15-9-11-8-13(26)6-7-14(11)23-15)24-25(19(16)22-10-21-18)12-4-2-1-3-5-12/h6-10,12,23,26H,1-5H2,(H2,20,21,22)
InChIKeyLXCMOYBKOMVTBG-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.77
Rot. Bonds2

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

2-(4-amino-1-cyclohexylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-5-ol (PubChem CID 135911775) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is 2-(4-amino-1-cyclohexylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-5-ol.

Molecular Properties

Compound Name2-(4-amino-1-cyclohexylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-5-ol
PubChem CID135911775
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name2-(4-amino-1-cyclohexylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-5-ol
SMILESNc1ncnc2c1c(-c1cc3cc(O)ccc3[nH]1)nn2C1CCCCC1
InChIInChI=1S/C19H20N6O/c20-18-16-17(15-9-11-8-13(26)6-7-14(11)23-15)24-25(19(16)22-10-21-18)12-4-2-1-3-5-12/h6-10,12,23,26H,1-5H2,(H2,20,21,22)
InChIKeyLXCMOYBKOMVTBG-UHFFFAOYSA-N
XLogP3.77
TPSA105.64 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.77
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-cyclohexylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-5-ol?
The IUPAC name of 2-(4-amino-1-cyclohexylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-5-ol (CID 135911775) is 2-(4-amino-1-cyclohexylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-5-ol.
What is the SMILES notation for 2-(4-amino-1-cyclohexylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-5-ol?
The canonical SMILES for 2-(4-amino-1-cyclohexylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-5-ol is Nc1ncnc2c1c(-c1cc3cc(O)ccc3[nH]1)nn2C1CCCCC1.
What is the InChIKey of 2-(4-amino-1-cyclohexylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-5-ol?
The InChIKey is LXCMOYBKOMVTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O/c20-18-16-17(15-9-11-8-13(26)6-7-14(11)23-15)24-25(19(16)22-10-21-18)12-4-2-1-3-5-12/h6-10,12,23,26H,1-5H2,(H2,20,21,22).
What are the key properties of 2-(4-amino-1-cyclohexylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-5-ol?
2-(4-amino-1-cyclohexylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-5-ol has a molecular weight of 348.41 g/mol, XLogP of 3.77, 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-cyclohexylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-5-ol is sourced from PubChem (CID 135911775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).