[3-[[4-amino-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-2-yl]methyl]phenyl]methanol

C16H14N6OS — CID 146268709

IUPAC[3-[[4-amino-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-2-yl]methyl]phenyl]methanol
SMILESNc1nc(-c2ccsn2)nc2nn(Cc3cccc(CO)c3)cc12
InChIInChI=1S/C16H14N6OS/c17-14-12-8-22(7-10-2-1-3-11(6-10)9-23)20-15(12)19-16(18-14)13-4-5-24-21-13/h1-6,8,23H,7,9H2,(H2,17,18,19,20)
InChIKeyVNZNUXXOZMSJKJ-UHFFFAOYSA-N
MW338.40 g/mol
LogP2.07
Rot. Bonds4

About [3-[[4-amino-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-2-yl]methyl]phenyl]methanol

[3-[[4-amino-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-2-yl]methyl]phenyl]methanol (PubChem CID 146268709) has the molecular formula C16H14N6OS and a molecular weight of 338.40 g/mol. Its IUPAC name is [3-[[4-amino-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-2-yl]methyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[[4-amino-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-2-yl]methyl]phenyl]methanol
PubChem CID146268709
Molecular FormulaC16H14N6OS
Molecular Weight338.40 g/mol
Exact Mass338.09
IUPAC Name[3-[[4-amino-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-2-yl]methyl]phenyl]methanol
SMILESNc1nc(-c2ccsn2)nc2nn(Cc3cccc(CO)c3)cc12
InChIInChI=1S/C16H14N6OS/c17-14-12-8-22(7-10-2-1-3-11(6-10)9-23)20-15(12)19-16(18-14)13-4-5-24-21-13/h1-6,8,23H,7,9H2,(H2,17,18,19,20)
InChIKeyVNZNUXXOZMSJKJ-UHFFFAOYSA-N
XLogP2.07
TPSA102.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [3-[[4-amino-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-2-yl]methyl]phenyl]methanol with MolForge

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Related Compounds

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[3-(2-Amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)phenyl]methanol
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CID 146268724
US11786528, Example 32
CID 146268728
US11786528, Example 13
CID 146268729
US11786528, Example 43
CID 146270334

Frequently Asked Questions

What is the IUPAC name of [3-[[4-amino-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-2-yl]methyl]phenyl]methanol?
The IUPAC name of [3-[[4-amino-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-2-yl]methyl]phenyl]methanol (CID 146268709) is [3-[[4-amino-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-2-yl]methyl]phenyl]methanol.
What is the SMILES notation for [3-[[4-amino-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-2-yl]methyl]phenyl]methanol?
The canonical SMILES for [3-[[4-amino-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-2-yl]methyl]phenyl]methanol is Nc1nc(-c2ccsn2)nc2nn(Cc3cccc(CO)c3)cc12.
What is the InChIKey of [3-[[4-amino-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-2-yl]methyl]phenyl]methanol?
The InChIKey is VNZNUXXOZMSJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6OS/c17-14-12-8-22(7-10-2-1-3-11(6-10)9-23)20-15(12)19-16(18-14)13-4-5-24-21-13/h1-6,8,23H,7,9H2,(H2,17,18,19,20).
What are the key properties of [3-[[4-amino-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-2-yl]methyl]phenyl]methanol?
[3-[[4-amino-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-2-yl]methyl]phenyl]methanol has a molecular weight of 338.40 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[4-amino-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-2-yl]methyl]phenyl]methanol is sourced from PubChem (CID 146268709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).