[1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]methanol

C11H15N5O — CID 178104863

IUPAC[1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]methanol
SMILESCc1nc(N2CCC(CO)C2)c2cn[nH]c2n1
InChIInChI=1S/C11H15N5O/c1-7-13-10-9(4-12-15-10)11(14-7)16-3-2-8(5-16)6-17/h4,8,17H,2-3,5-6H2,1H3,(H,12,13,14,15)
InChIKeyNPIUVRVSHILEBY-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.48
Rot. Bonds2

About [1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]methanol

[1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]methanol (PubChem CID 178104863) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is [1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]methanol
PubChem CID178104863
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC Name[1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]methanol
SMILESCc1nc(N2CCC(CO)C2)c2cn[nH]c2n1
InChIInChI=1S/C11H15N5O/c1-7-13-10-9(4-12-15-10)11(14-7)16-3-2-8(5-16)6-17/h4,8,17H,2-3,5-6H2,1H3,(H,12,13,14,15)
InChIKeyNPIUVRVSHILEBY-UHFFFAOYSA-N
XLogP0.48
TPSA77.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(6-hydrazinyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]methanol
CID 112629759
1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carbonitrile
CID 178105996
1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carbonitrile
CID 178106501
4-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 39782435
4-[(3S)-1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)azepan-3-yl]morpholine
CID 166278947
N-[4-methyl-1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]pyridazine-4-carboxamide
CID 167907740
[1-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]pyrrolidin-3-yl]methanol
CID 112629574
3-methyl-1-[6-(propylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]piperidin-4-ol
CID 114683927
(3R,4R)-3-(hydroxymethyl)-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-ol
CID 134711259
ethyl 6-[(3S)-3-(2-hydroxyethyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridine-4-carboxylate
CID 166307085
[(3R)-1-(6-chloro-2-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanol
CID 129393742
[1-[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]methanol
CID 103329632

Frequently Asked Questions

What is the IUPAC name of [1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]methanol?
The IUPAC name of [1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]methanol (CID 178104863) is [1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]methanol is Cc1nc(N2CCC(CO)C2)c2cn[nH]c2n1.
What is the InChIKey of [1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]methanol?
The InChIKey is NPIUVRVSHILEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-7-13-10-9(4-12-15-10)11(14-7)16-3-2-8(5-16)6-17/h4,8,17H,2-3,5-6H2,1H3,(H,12,13,14,15).
What are the key properties of [1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]methanol?
[1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]methanol has a molecular weight of 233.27 g/mol, XLogP of 0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 178104863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).