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

C14H23N5O2 — CID 178044829

IUPACethane;1-(3-methoxy-6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-ol
SMILESCC.COc1n[nH]c2nc(C)nc(N3CCCC(O)C3)c12
InChIInChI=1S/C12H17N5O2.C2H6/c1-7-13-10-9(12(19-2)16-15-10)11(14-7)17-5-3-4-8(18)6-17;1-2/h8,18H,3-6H2,1-2H3,(H,13,14,15,16);1-2H3
InChIKeyOMTYKNNXPSBVTG-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.66
Rot. Bonds2

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

ethane;1-(3-methoxy-6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-ol (PubChem CID 178044829) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is ethane;1-(3-methoxy-6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-ol.

Molecular Properties

Compound Nameethane;1-(3-methoxy-6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-ol
PubChem CID178044829
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Nameethane;1-(3-methoxy-6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-ol
SMILESCC.COc1n[nH]c2nc(C)nc(N3CCCC(O)C3)c12
InChIInChI=1S/C12H17N5O2.C2H6/c1-7-13-10-9(12(19-2)16-15-10)11(14-7)17-5-3-4-8(18)6-17;1-2/h8,18H,3-6H2,1-2H3,(H,13,14,15,16);1-2H3
InChIKeyOMTYKNNXPSBVTG-UHFFFAOYSA-N
XLogP1.66
TPSA87.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Ethane;15-methyl-9-oxa-2,11,12,14,16-pentazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),10,13(17),14-tetraen-4-ol
CID 178044325
ethane;(3S)-1-(3-methoxy-6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-3-methylpiperidin-3-ol
CID 178044450
4,15-Dimethyl-9-oxa-2,11,12,14,16-pentazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),10,13(17),14-tetraen-4-ol;ethane
CID 178044822
(4S)-4,15-dimethyl-9-oxa-2,11,12,14,16-pentazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),10,13(17),14-tetraen-4-ol;ethane
CID 178044882
ethane;3-methoxy-6-methyl-4-(3-methylpiperidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine
CID 178044970
3-methoxy-4-(1,4-oxazepan-4-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 178104898
ethane;[4-[(3S)-3-hydroxy-3-methylpiperidin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidin-3-yl]oxymethanediol
CID 178105546
15-Amino-9-oxa-2,11,12,14,16-pentazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),10,13(17),14-tetraen-4-ol
CID 178105628
2-[(3-methoxy-6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]cyclopropan-1-ol
CID 178105957
CID 178105981
CID 178105981
[4-[(3S)-3-hydroxy-3-methylpiperidin-1-yl]-6-methyliodanuidylpyrazolo[5,4-d]pyrimidin-1-id-3-yl]oxymethanediol;rhenium
CID 178106173
1-(6-Amino-10-ethyl-11-methyl-12-oxa-2,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-9-yl)-2-methylpropan-2-ol
CID 178106815

Frequently Asked Questions

What is the IUPAC name of ethane;1-(3-methoxy-6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-ol?
The IUPAC name of ethane;1-(3-methoxy-6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-ol (CID 178044829) is ethane;1-(3-methoxy-6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-ol.
What is the SMILES notation for ethane;1-(3-methoxy-6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-ol?
The canonical SMILES for ethane;1-(3-methoxy-6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-ol is CC.COc1n[nH]c2nc(C)nc(N3CCCC(O)C3)c12.
What is the InChIKey of ethane;1-(3-methoxy-6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-ol?
The InChIKey is OMTYKNNXPSBVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2.C2H6/c1-7-13-10-9(12(19-2)16-15-10)11(14-7)17-5-3-4-8(18)6-17;1-2/h8,18H,3-6H2,1-2H3,(H,13,14,15,16);1-2H3.
What are the key properties of ethane;1-(3-methoxy-6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-ol?
ethane;1-(3-methoxy-6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-ol has a molecular weight of 293.37 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(3-methoxy-6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-ol is sourced from PubChem (CID 178044829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).