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

C17H16N6O — CID 135911776

IUPAC2-(4-amino-1-cyclobutylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-5-ol
SMILESNc1ncnc2c1c(-c1cc3cc(O)ccc3[nH]1)nn2C1CCC1
InChIInChI=1S/C17H16N6O/c18-16-14-15(13-7-9-6-11(24)4-5-12(9)21-13)22-23(10-2-1-3-10)17(14)20-8-19-16/h4-8,10,21,24H,1-3H2,(H2,18,19,20)
InChIKeyYRQBJPCSTNERCC-UHFFFAOYSA-N
MW320.36 g/mol
LogP2.99
Rot. Bonds2

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

2-(4-amino-1-cyclobutylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-5-ol (PubChem CID 135911776) has the molecular formula C17H16N6O and a molecular weight of 320.36 g/mol. Its IUPAC name is 2-(4-amino-1-cyclobutylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-5-ol.

Molecular Properties

Compound Name2-(4-amino-1-cyclobutylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-5-ol
PubChem CID135911776
Molecular FormulaC17H16N6O
Molecular Weight320.36 g/mol
Exact Mass320.14
IUPAC Name2-(4-amino-1-cyclobutylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-5-ol
SMILESNc1ncnc2c1c(-c1cc3cc(O)ccc3[nH]1)nn2C1CCC1
InChIInChI=1S/C17H16N6O/c18-16-14-15(13-7-9-6-11(24)4-5-12(9)21-13)22-23(10-2-1-3-10)17(14)20-8-19-16/h4-8,10,21,24H,1-3H2,(H2,18,19,20)
InChIKeyYRQBJPCSTNERCC-UHFFFAOYSA-N
XLogP2.99
TPSA105.64 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 135565635
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CID 46880075
3-((4-amino-1-tert-butyl-1H-pyrazolo(3,4-d)pyrimidin-3-yl)methyl)phenol
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5-(4-amino-1-cyclopentyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol
CID 24905302
5-(4-amino-1-(3-methylcyclopentyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol
CID 24905315
3-hydroxybenzaldehyde (8-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazone
CID 9567177
1-[3-(diethylamino)propylamino]-4-methyl-5H-pyrido[4,3-b]indol-8-ol
CID 183279
5H-Pyrido(4,3-b)indol-8-ol, 1-((3-(dimethylamino)propyl)amino)-4-methyl-
CID 183280
1-[2-(Diethylamino)ethylamino]-4,5-dimethylpyrido[4,3-b]indol-8-ol
CID 183296
2-Amino-5-[4-amino-1-(1-methylethyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]phenol
CID 24905252
5-(4-amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol
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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-1-cyclobutylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-5-ol?
The IUPAC name of 2-(4-amino-1-cyclobutylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-5-ol (CID 135911776) is 2-(4-amino-1-cyclobutylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-5-ol.
What is the SMILES notation for 2-(4-amino-1-cyclobutylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-5-ol?
The canonical SMILES for 2-(4-amino-1-cyclobutylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-5-ol is Nc1ncnc2c1c(-c1cc3cc(O)ccc3[nH]1)nn2C1CCC1.
What is the InChIKey of 2-(4-amino-1-cyclobutylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-5-ol?
The InChIKey is YRQBJPCSTNERCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O/c18-16-14-15(13-7-9-6-11(24)4-5-12(9)21-13)22-23(10-2-1-3-10)17(14)20-8-19-16/h4-8,10,21,24H,1-3H2,(H2,18,19,20).
What are the key properties of 2-(4-amino-1-cyclobutylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-5-ol?
2-(4-amino-1-cyclobutylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-5-ol has a molecular weight of 320.36 g/mol, XLogP of 2.99, 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-cyclobutylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-5-ol is sourced from PubChem (CID 135911776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).