[(1R,2R)-2-[(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)methyl]cyclopentyl]methanol

C12H15ClN4O — CID 165171963

IUPAC[(1R,2R)-2-[(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)methyl]cyclopentyl]methanol
SMILESOC[C@@H]1CCC[C@H]1Cn1ncc2cnc(Cl)nc21
InChIInChI=1S/C12H15ClN4O/c13-12-14-4-10-5-15-17(11(10)16-12)6-8-2-1-3-9(8)7-18/h4-5,8-9,18H,1-3,6-7H2/t8-,9-/m0/s1
InChIKeyGAUUSYNHCXJEHZ-IUCAKERBSA-N
MW266.73 g/mol
LogP1.89
Rot. Bonds3

About [(1R,2R)-2-[(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)methyl]cyclopentyl]methanol

[(1R,2R)-2-[(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)methyl]cyclopentyl]methanol (PubChem CID 165171963) has the molecular formula C12H15ClN4O and a molecular weight of 266.73 g/mol. Its IUPAC name is [(1R,2R)-2-[(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[(1R,2R)-2-[(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)methyl]cyclopentyl]methanol
PubChem CID165171963
Molecular FormulaC12H15ClN4O
Molecular Weight266.73 g/mol
Exact Mass266.09
IUPAC Name[(1R,2R)-2-[(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)methyl]cyclopentyl]methanol
SMILESOC[C@@H]1CCC[C@H]1Cn1ncc2cnc(Cl)nc21
InChIInChI=1S/C12H15ClN4O/c13-12-14-4-10-5-15-17(11(10)16-12)6-8-2-1-3-9(8)7-18/h4-5,8-9,18H,1-3,6-7H2/t8-,9-/m0/s1
InChIKeyGAUUSYNHCXJEHZ-IUCAKERBSA-N
XLogP1.89
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-1-(cyclohexylmethyl)pyrazolo[3,4-d]pyrimidine
CID 172599841
6-chloro-1-[(4-methylcyclohexyl)methyl]pyrazolo[3,4-d]pyrimidine
CID 58056409
6-chloro-1-[[(2S,5S)-5-methylpyrrolidin-2-yl]methyl]pyrazolo[3,4-d]pyrimidine
CID 165171615
1-[(2S)-2-[(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)methyl]piperidin-1-yl]ethanone
CID 165171628
3-[(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)methyl]piperidin-2-one
CID 165171617
6-chloro-1-ethylpyrazolo[3,4-d]pyrimidine
CID 58056412
1-[(2S,5S)-2-[(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)methyl]-5-methylpyrrolidin-1-yl]ethanone
CID 165171954
tert-butyl-[4-[(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)methyl]cyclohexyl]carbamic acid
CID 87094208
6-chloro-1-cyclopropylpyrazolo[3,4-d]pyrimidine
CID 134607575
1-[(2S,3R,4S)-2-[(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)methyl]-4-fluoro-3-methylpyrrolidin-1-yl]ethanone
CID 165171984
[2-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
CID 79076621
1-(cyclohexylmethyl)-6-methylpyrazolo[3,4-d]pyrimidine
CID 172599943

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-[(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)methyl]cyclopentyl]methanol?
The IUPAC name of [(1R,2R)-2-[(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)methyl]cyclopentyl]methanol (CID 165171963) is [(1R,2R)-2-[(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)methyl]cyclopentyl]methanol.
What is the SMILES notation for [(1R,2R)-2-[(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)methyl]cyclopentyl]methanol?
The canonical SMILES for [(1R,2R)-2-[(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)methyl]cyclopentyl]methanol is OC[C@@H]1CCC[C@H]1Cn1ncc2cnc(Cl)nc21.
What is the InChIKey of [(1R,2R)-2-[(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)methyl]cyclopentyl]methanol?
The InChIKey is GAUUSYNHCXJEHZ-IUCAKERBSA-N. The full InChI is InChI=1S/C12H15ClN4O/c13-12-14-4-10-5-15-17(11(10)16-12)6-8-2-1-3-9(8)7-18/h4-5,8-9,18H,1-3,6-7H2/t8-,9-/m0/s1.
What are the key properties of [(1R,2R)-2-[(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)methyl]cyclopentyl]methanol?
[(1R,2R)-2-[(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)methyl]cyclopentyl]methanol has a molecular weight of 266.73 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-[(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)methyl]cyclopentyl]methanol is sourced from PubChem (CID 165171963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).