[(2S)-1-(6-chloro-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol

C11H14ClN5O — CID 142498248

IUPAC[(2S)-1-(6-chloro-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol
SMILESCn1ncc2c(N3CCC[C@H]3CO)nc(Cl)nc21
InChIInChI=1S/C11H14ClN5O/c1-16-9-8(5-13-16)10(15-11(12)14-9)17-4-2-3-7(17)6-18/h5,7,18H,2-4,6H2,1H3/t7-/m0/s1
InChIKeyGNYMOCAYEYMPRT-ZETCQYMHSA-N
MW267.72 g/mol
LogP0.98
Rot. Bonds2

About [(2S)-1-(6-chloro-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol

[(2S)-1-(6-chloro-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol (PubChem CID 142498248) has the molecular formula C11H14ClN5O and a molecular weight of 267.72 g/mol. Its IUPAC name is [(2S)-1-(6-chloro-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-(6-chloro-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol
PubChem CID142498248
Molecular FormulaC11H14ClN5O
Molecular Weight267.72 g/mol
Exact Mass267.09
IUPAC Name[(2S)-1-(6-chloro-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol
SMILESCn1ncc2c(N3CCC[C@H]3CO)nc(Cl)nc21
InChIInChI=1S/C11H14ClN5O/c1-16-9-8(5-13-16)10(15-11(12)14-9)17-4-2-3-7(17)6-18/h5,7,18H,2-4,6H2,1H3/t7-/m0/s1
InChIKeyGNYMOCAYEYMPRT-ZETCQYMHSA-N
XLogP0.98
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(2S)-1-(6-chloro-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol with MolForge

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Related Compounds

[(2R)-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 41112085
[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 22590117
[1-(2-chloro-5-methylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 79075782
4-(2-ethylpiperidin-1-yl)-1,6-dimethylpyrazolo[5,4-d]pyrimidine
CID 136525360
[1-(2-chloro-7-methylquinazolin-4-yl)pyrrolidin-2-yl]methanol;ethane
CID 142498271
4-chloro-5-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpyridazin-3-one
CID 14910722
[1-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 137363788
N-methyl-1-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanamine
CID 62586356
6-cyclopropyl-2-[[1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923552
[(2R)-1-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)pyrrolidin-2-yl]methanol
CID 137363510
2-[1-(2-chloroquinazolin-4-yl)pyrrolidin-2-yl]ethanol
CID 112748767
[(2R)-1-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-5-methylpyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 97044430

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(6-chloro-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-(6-chloro-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol (CID 142498248) is [(2S)-1-(6-chloro-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-(6-chloro-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-(6-chloro-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol is Cn1ncc2c(N3CCC[C@H]3CO)nc(Cl)nc21.
What is the InChIKey of [(2S)-1-(6-chloro-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol?
The InChIKey is GNYMOCAYEYMPRT-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H14ClN5O/c1-16-9-8(5-13-16)10(15-11(12)14-9)17-4-2-3-7(17)6-18/h5,7,18H,2-4,6H2,1H3/t7-/m0/s1.
What are the key properties of [(2S)-1-(6-chloro-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol?
[(2S)-1-(6-chloro-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol has a molecular weight of 267.72 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(6-chloro-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 142498248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).