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

C15H25N5O2 — CID 178044450

IUPACethane;(3S)-1-(3-methoxy-6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-3-methylpiperidin-3-ol
SMILESCC.COc1n[nH]c2nc(C)nc(N3CCC[C@](C)(O)C3)c12
InChIInChI=1S/C13H19N5O2.C2H6/c1-8-14-10-9(12(20-3)17-16-10)11(15-8)18-6-4-5-13(2,19)7-18;1-2/h19H,4-7H2,1-3H3,(H,14,15,16,17);1-2H3/t13-;/m0./s1
InChIKeyRLHLKEHJNPLWMJ-ZOWNYOTGSA-N
MW307.40 g/mol
LogP2.05
Rot. Bonds2

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

ethane;(3S)-1-(3-methoxy-6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-3-methylpiperidin-3-ol (PubChem CID 178044450) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is ethane;(3S)-1-(3-methoxy-6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-3-methylpiperidin-3-ol.

Molecular Properties

Compound Nameethane;(3S)-1-(3-methoxy-6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-3-methylpiperidin-3-ol
PubChem CID178044450
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC Nameethane;(3S)-1-(3-methoxy-6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-3-methylpiperidin-3-ol
SMILESCC.COc1n[nH]c2nc(C)nc(N3CCC[C@](C)(O)C3)c12
InChIInChI=1S/C13H19N5O2.C2H6/c1-8-14-10-9(12(20-3)17-16-10)11(15-8)18-6-4-5-13(2,19)7-18;1-2/h19H,4-7H2,1-3H3,(H,14,15,16,17);1-2H3/t13-;/m0./s1
InChIKeyRLHLKEHJNPLWMJ-ZOWNYOTGSA-N
XLogP2.05
TPSA87.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.05
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
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
ethane;1-(3-methoxy-6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-ol
CID 178044829
(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
15-Amino-4,8-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
CID 178104728
15-Amino-4-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 178104744
3-methoxy-4-(1,4-oxazepan-4-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 178104898
(4S,7R,8S)-4,8,15-trimethyl-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 178105115
(4S,7R,8S)-15-amino-4,8-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
CID 178105125
(4S)-15-amino-4-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 178105513
ethane;[4-[(3S)-3-hydroxy-3-methylpiperidin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidin-3-yl]oxymethanediol
CID 178105546

Frequently Asked Questions

What is the IUPAC name of ethane;(3S)-1-(3-methoxy-6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-3-methylpiperidin-3-ol?
The IUPAC name of ethane;(3S)-1-(3-methoxy-6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-3-methylpiperidin-3-ol (CID 178044450) is ethane;(3S)-1-(3-methoxy-6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-3-methylpiperidin-3-ol.
What is the SMILES notation for ethane;(3S)-1-(3-methoxy-6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-3-methylpiperidin-3-ol?
The canonical SMILES for ethane;(3S)-1-(3-methoxy-6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-3-methylpiperidin-3-ol is CC.COc1n[nH]c2nc(C)nc(N3CCC[C@](C)(O)C3)c12.
What is the InChIKey of ethane;(3S)-1-(3-methoxy-6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-3-methylpiperidin-3-ol?
The InChIKey is RLHLKEHJNPLWMJ-ZOWNYOTGSA-N. The full InChI is InChI=1S/C13H19N5O2.C2H6/c1-8-14-10-9(12(20-3)17-16-10)11(15-8)18-6-4-5-13(2,19)7-18;1-2/h19H,4-7H2,1-3H3,(H,14,15,16,17);1-2H3/t13-;/m0./s1.
What are the key properties of ethane;(3S)-1-(3-methoxy-6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-3-methylpiperidin-3-ol?
ethane;(3S)-1-(3-methoxy-6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-3-methylpiperidin-3-ol has a molecular weight of 307.40 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3S)-1-(3-methoxy-6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-3-methylpiperidin-3-ol is sourced from PubChem (CID 178044450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).