[1-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-3-(2-phenylethyl)piperidin-3-yl]methanol

C19H24N6O — CID 56739220

IUPAC[1-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-3-(2-phenylethyl)piperidin-3-yl]methanol
SMILESNc1nc(N2CCCC(CO)(CCc3ccccc3)C2)c2cn[nH]c2n1
InChIInChI=1S/C19H24N6O/c20-18-22-16-15(11-21-24-16)17(23-18)25-10-4-8-19(12-25,13-26)9-7-14-5-2-1-3-6-14/h1-3,5-6,11,26H,4,7-10,12-13H2,(H3,20,21,22,23,24)
InChIKeyWMUOBAVCVXLMQG-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.15
Rot. Bonds5

About [1-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-3-(2-phenylethyl)piperidin-3-yl]methanol

[1-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-3-(2-phenylethyl)piperidin-3-yl]methanol (PubChem CID 56739220) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is [1-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-3-(2-phenylethyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-3-(2-phenylethyl)piperidin-3-yl]methanol
PubChem CID56739220
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name[1-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-3-(2-phenylethyl)piperidin-3-yl]methanol
SMILESNc1nc(N2CCCC(CO)(CCc3ccccc3)C2)c2cn[nH]c2n1
InChIInChI=1S/C19H24N6O/c20-18-22-16-15(11-21-24-16)17(23-18)25-10-4-8-19(12-25,13-26)9-7-14-5-2-1-3-6-14/h1-3,5-6,11,26H,4,7-10,12-13H2,(H3,20,21,22,23,24)
InChIKeyWMUOBAVCVXLMQG-UHFFFAOYSA-N
XLogP2.15
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [1-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-3-(2-phenylethyl)piperidin-3-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3S)-1-(4-aminopyrimidin-2-yl)-3-(2-phenylethyl)piperidin-3-yl]methanol
CID 95208187
4-(4-oxa-7-azaspiro[2.5]octan-7-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 178105507
[(3R)-3-(3-phenylpropyl)-1-(7H-purin-6-yl)piperidin-3-yl]methanol
CID 95222493
[1-[2-(2-aminoethyl)quinazolin-4-yl]-3-ethylpiperidin-3-yl]methanol
CID 50967083
2-[3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-yl]-6-methylpyridine-3-carboxylic acid
CID 56757377
[1-(2-phenylethyl)cyclobutyl]methanol
CID 58979662
2-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-7-(cyclobutylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 70725204
(5R)-2-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-7-cyclohexyl-2,7-diazaspiro[4.5]decan-6-one
CID 97202341
1-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-4-[[(2R)-oxan-2-yl]methyl]piperidine-4-carboxylic acid
CID 95463470
ethane;(3S)-3-methyl-1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-ol
CID 178044688
2-[(3R)-3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-yl]pyridine-3-carbonitrile
CID 95226937
[1-(2-aminopyrimidin-4-yl)-3-(2-phenoxyethyl)piperidin-3-yl]methanol
CID 56757600

Frequently Asked Questions

What is the IUPAC name of [1-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-3-(2-phenylethyl)piperidin-3-yl]methanol?
The IUPAC name of [1-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-3-(2-phenylethyl)piperidin-3-yl]methanol (CID 56739220) is [1-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-3-(2-phenylethyl)piperidin-3-yl]methanol.
What is the SMILES notation for [1-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-3-(2-phenylethyl)piperidin-3-yl]methanol?
The canonical SMILES for [1-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-3-(2-phenylethyl)piperidin-3-yl]methanol is Nc1nc(N2CCCC(CO)(CCc3ccccc3)C2)c2cn[nH]c2n1.
What is the InChIKey of [1-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-3-(2-phenylethyl)piperidin-3-yl]methanol?
The InChIKey is WMUOBAVCVXLMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O/c20-18-22-16-15(11-21-24-16)17(23-18)25-10-4-8-19(12-25,13-26)9-7-14-5-2-1-3-6-14/h1-3,5-6,11,26H,4,7-10,12-13H2,(H3,20,21,22,23,24).
What are the key properties of [1-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-3-(2-phenylethyl)piperidin-3-yl]methanol?
[1-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-3-(2-phenylethyl)piperidin-3-yl]methanol has a molecular weight of 352.44 g/mol, XLogP of 2.15, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-3-(2-phenylethyl)piperidin-3-yl]methanol is sourced from PubChem (CID 56739220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).