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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Related Compounds

Torkinib
CID 135565635
3-(4-Azanyl-1-propan-2-YL-pyrazolo(3,4-D)pyrimidin-3-YL)phenol
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3-(7-(4-((1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl)phenol
CID 46880075
3-[7-[4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-fluorophenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]phenol
CID 46880102
5-[7-[4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]-2-fluorophenol
CID 46880104
3-((4-amino-1-tert-butyl-1H-pyrazolo(3,4-d)pyrimidin-3-yl)methyl)phenol
CID 16750071
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

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).