1-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-5-methoxy-3-methylpiperidin-3-ol

C12H18N6O2 — CID 178104706

IUPAC1-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-5-methoxy-3-methylpiperidin-3-ol
SMILESCOC1CN(c2nc(N)nc3[nH]ncc23)CC(C)(O)C1
InChIInChI=1S/C12H18N6O2/c1-12(19)3-7(20-2)5-18(6-12)10-8-4-14-17-9(8)15-11(13)16-10/h4,7,19H,3,5-6H2,1-2H3,(H3,13,14,15,16,17)
InChIKeyHPHABGLQZSDQHC-UHFFFAOYSA-N
MW278.32 g/mol
LogP-0.09
Rot. Bonds2

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

1-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-5-methoxy-3-methylpiperidin-3-ol (PubChem CID 178104706) has the molecular formula C12H18N6O2 and a molecular weight of 278.32 g/mol. Its IUPAC name is 1-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-5-methoxy-3-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-5-methoxy-3-methylpiperidin-3-ol
PubChem CID178104706
Molecular FormulaC12H18N6O2
Molecular Weight278.32 g/mol
Exact Mass278.15
IUPAC Name1-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-5-methoxy-3-methylpiperidin-3-ol
SMILESCOC1CN(c2nc(N)nc3[nH]ncc23)CC(C)(O)C1
InChIInChI=1S/C12H18N6O2/c1-12(19)3-7(20-2)5-18(6-12)10-8-4-14-17-9(8)15-11(13)16-10/h4,7,19H,3,5-6H2,1-2H3,(H3,13,14,15,16,17)
InChIKeyHPHABGLQZSDQHC-UHFFFAOYSA-N
XLogP-0.09
TPSA113.18 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-5-methoxy-3-methylpiperidin-3-ol with MolForge

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Related Compounds

4-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 39782435
4-[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 162633660
N-ethyl-4-(3-methoxypiperidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 102971502
4-(4-oxa-7-azaspiro[2.5]octan-7-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 178105507
(3S,4S)-1-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-4-(azepan-1-yl)piperidin-3-ol
CID 133129460
ethane;(3S)-3-methyl-1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-ol
CID 178044688
4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 67163166
4-(2-ethyl-5-methylpyrrolidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 83224574
(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)-3-(2-phenylethyl)piperidin-3-yl]methanol
CID 56739220
4-[1-[(2-methoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 46932615
[1-(6-hydrazinyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]methanol
CID 112629759

Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-5-methoxy-3-methylpiperidin-3-ol?
The IUPAC name of 1-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-5-methoxy-3-methylpiperidin-3-ol (CID 178104706) is 1-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-5-methoxy-3-methylpiperidin-3-ol.
What is the SMILES notation for 1-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-5-methoxy-3-methylpiperidin-3-ol?
The canonical SMILES for 1-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-5-methoxy-3-methylpiperidin-3-ol is COC1CN(c2nc(N)nc3[nH]ncc23)CC(C)(O)C1.
What is the InChIKey of 1-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-5-methoxy-3-methylpiperidin-3-ol?
The InChIKey is HPHABGLQZSDQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O2/c1-12(19)3-7(20-2)5-18(6-12)10-8-4-14-17-9(8)15-11(13)16-10/h4,7,19H,3,5-6H2,1-2H3,(H3,13,14,15,16,17).
What are the key properties of 1-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-5-methoxy-3-methylpiperidin-3-ol?
1-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-5-methoxy-3-methylpiperidin-3-ol has a molecular weight of 278.32 g/mol, XLogP of -0.09, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-5-methoxy-3-methylpiperidin-3-ol is sourced from PubChem (CID 178104706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).