ethane;(3S)-3-methyl-1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-ol

C14H23N5O — CID 178044688

IUPACethane;(3S)-3-methyl-1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-ol
SMILESCC.Cc1nc(N2CCC[C@](C)(O)C2)c2cn[nH]c2n1
InChIInChI=1S/C12H17N5O.C2H6/c1-8-14-10-9(6-13-16-10)11(15-8)17-5-3-4-12(2,18)7-17;1-2/h6,18H,3-5,7H2,1-2H3,(H,13,14,15,16);1-2H3/t12-;/m0./s1
InChIKeyAMNTZCTWTFZLGL-YDALLXLXSA-N
MW277.37 g/mol
LogP2.04
Rot. Bonds1

About ethane;(3S)-3-methyl-1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-ol

ethane;(3S)-3-methyl-1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-ol (PubChem CID 178044688) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is ethane;(3S)-3-methyl-1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-ol.

Molecular Properties

Compound Nameethane;(3S)-3-methyl-1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-ol
PubChem CID178044688
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Nameethane;(3S)-3-methyl-1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-ol
SMILESCC.Cc1nc(N2CCC[C@](C)(O)C2)c2cn[nH]c2n1
InChIInChI=1S/C12H17N5O.C2H6/c1-8-14-10-9(6-13-16-10)11(15-8)17-5-3-4-12(2,18)7-17;1-2/h6,18H,3-5,7H2,1-2H3,(H,13,14,15,16);1-2H3/t12-;/m0./s1
InChIKeyAMNTZCTWTFZLGL-YDALLXLXSA-N
XLogP2.04
TPSA77.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethane;(3S)-3-methyl-1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-ol with MolForge

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Related Compounds

1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carbonitrile
CID 178106501
1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carbonitrile
CID 178105996
4-[(3S)-1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)azepan-3-yl]morpholine
CID 166278947
[1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]methanol
CID 178104863
(3R)-1-(2,6-dimethylpyrimidin-4-yl)-3-methylpiperidin-3-ol
CID 178044915
4-(3-hydroxy-3-methylpiperidin-1-yl)-1H-pyridazin-6-one
CID 114393218
4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-6-methyl-1H-pyrazolo[5,4-d]pyrimidine
CID 67161981
ethane;1-[(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)oxymethyl]cyclopropan-1-ol
CID 178107415
1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylpiperidin-3-ol
CID 115871396
[1-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-3-(2-phenylethyl)piperidin-3-yl]methanol
CID 56739220
1-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-5-methoxy-3-methylpiperidin-3-ol
CID 178104706
(3R)-1-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)-3-methylpiperidin-3-ol
CID 164534628

Frequently Asked Questions

What is the IUPAC name of ethane;(3S)-3-methyl-1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-ol?
The IUPAC name of ethane;(3S)-3-methyl-1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-ol (CID 178044688) is ethane;(3S)-3-methyl-1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-ol.
What is the SMILES notation for ethane;(3S)-3-methyl-1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-ol?
The canonical SMILES for ethane;(3S)-3-methyl-1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-ol is CC.Cc1nc(N2CCC[C@](C)(O)C2)c2cn[nH]c2n1.
What is the InChIKey of ethane;(3S)-3-methyl-1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-ol?
The InChIKey is AMNTZCTWTFZLGL-YDALLXLXSA-N. The full InChI is InChI=1S/C12H17N5O.C2H6/c1-8-14-10-9(6-13-16-10)11(15-8)17-5-3-4-12(2,18)7-17;1-2/h6,18H,3-5,7H2,1-2H3,(H,13,14,15,16);1-2H3/t12-;/m0./s1.
What are the key properties of ethane;(3S)-3-methyl-1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-ol?
ethane;(3S)-3-methyl-1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-ol has a molecular weight of 277.37 g/mol, XLogP of 2.04, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3S)-3-methyl-1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-ol is sourced from PubChem (CID 178044688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).