1-cyclopentyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol

C18H21N5O — CID 133306905

IUPAC1-cyclopentyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol
SMILESOC(CNc1ncnc2c1cnn2-c1ccccc1)C1CCCC1
InChIInChI=1S/C18H21N5O/c24-16(13-6-4-5-7-13)11-19-17-15-10-22-23(18(15)21-12-20-17)14-8-2-1-3-9-14/h1-3,8-10,12-13,16,24H,4-7,11H2,(H,19,20,21)
InChIKeyKJGZNAXBWJRAMW-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.78
Rot. Bonds5

About 1-cyclopentyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol

1-cyclopentyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol (PubChem CID 133306905) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 1-cyclopentyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol.

Molecular Properties

Compound Name1-cyclopentyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol
PubChem CID133306905
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name1-cyclopentyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol
SMILESOC(CNc1ncnc2c1cnn2-c1ccccc1)C1CCCC1
InChIInChI=1S/C18H21N5O/c24-16(13-6-4-5-7-13)11-19-17-15-10-22-23(18(15)21-12-20-17)14-8-2-1-3-9-14/h1-3,8-10,12-13,16,24H,4-7,11H2,(H,19,20,21)
InChIKeyKJGZNAXBWJRAMW-UHFFFAOYSA-N
XLogP2.78
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N'-cyclopentyl-N'-methyl-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine
CID 133285646
propan-2-yl 2-methyl-3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propanoate
CID 133325485
6-[(2-cyclohexyl-2-hydroxyethyl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136528482
N-methyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]acetamide
CID 43215057
2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]acetamide
CID 43235572
N-(2,2-dimethylpropyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 61168228
(2R)-1-[[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]propan-2-ol
CID 7205599
(1S)-1-cyclopentyl-2-(pyrido[2,3-d]pyrimidin-4-ylamino)ethanol
CID 97326266
(2R)-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]butan-1-ol
CID 866510
(2S)-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]butan-1-ol
CID 866509
2-[(1-methylpyrazol-4-yl)methyl]-3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propanamide
CID 166186833
dimethyl-[2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]azanium
CID 6953713

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol?
The IUPAC name of 1-cyclopentyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol (CID 133306905) is 1-cyclopentyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol.
What is the SMILES notation for 1-cyclopentyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol?
The canonical SMILES for 1-cyclopentyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol is OC(CNc1ncnc2c1cnn2-c1ccccc1)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol?
The InChIKey is KJGZNAXBWJRAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c24-16(13-6-4-5-7-13)11-19-17-15-10-22-23(18(15)21-12-20-17)14-8-2-1-3-9-14/h1-3,8-10,12-13,16,24H,4-7,11H2,(H,19,20,21).
What are the key properties of 1-cyclopentyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol?
1-cyclopentyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol has a molecular weight of 323.40 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol is sourced from PubChem (CID 133306905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).