[4-[3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]phenyl]methanol

C17H14N4OS — CID 134807087

IUPAC[4-[3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]phenyl]methanol
SMILESCc1ccsc1-c1[nH]nc2ncc(-c3ccc(CO)cc3)nc12
InChIInChI=1S/C17H14N4OS/c1-10-6-7-23-16(10)14-15-17(21-20-14)18-8-13(19-15)12-4-2-11(9-22)3-5-12/h2-8,22H,9H2,1H3,(H,18,20,21)
InChIKeyOXOAUWYORRNNJS-UHFFFAOYSA-N
MW322.39 g/mol
LogP3.55
Rot. Bonds3

About [4-[3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]phenyl]methanol

[4-[3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]phenyl]methanol (PubChem CID 134807087) has the molecular formula C17H14N4OS and a molecular weight of 322.39 g/mol. Its IUPAC name is [4-[3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]phenyl]methanol
PubChem CID134807087
Molecular FormulaC17H14N4OS
Molecular Weight322.39 g/mol
Exact Mass322.09
IUPAC Name[4-[3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]phenyl]methanol
SMILESCc1ccsc1-c1[nH]nc2ncc(-c3ccc(CO)cc3)nc12
InChIInChI=1S/C17H14N4OS/c1-10-6-7-23-16(10)14-15-17(21-20-14)18-8-13(19-15)12-4-2-11(9-22)3-5-12/h2-8,22H,9H2,1H3,(H,18,20,21)
InChIKeyOXOAUWYORRNNJS-UHFFFAOYSA-N
XLogP3.55
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4-(3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl)phenyl)methanol
CID 49797814
[4-[4-Amino-5-(2-cyclohexylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]methanol
CID 155527495
[3-[3-(2-Thienyl)imidazo [1,2-b]pyridazin-6-yl]phenyl] methanol
CID 126673064
[4-[4-Amino-7-[2-(aminomethyl)-1,3-thiazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2,6-difluorophenyl]methanol
CID 71187087
[4-[4-Amino-7-(2-methyl-1,3-thiazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]methanol
CID 71187309
[4-[4-Amino-7-(2-methyl-1,3-thiazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2,6-difluorophenyl]methanol
CID 71187350
[4-[4-Amino-7-(2-amino-1,3-thiazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]methanol
CID 71487146
[4-[4-Amino-7-(2-ethyl-1,3-thiazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2,6-difluorophenyl]methanol
CID 90389076
[4-[4-Amino-7-(2-ethyl-1,3-thiazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]methanol
CID 90389184
(1R)-1-(4-fluorophenyl)-1-[2-[4-[6-(5-methylthiophen-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanol
CID 118032915
(1S)-1-(4-fluorophenyl)-1-[2-[4-[6-(5-methylthiophen-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanol
CID 118032919
US11098041, Example 32
CID 121249889

Frequently Asked Questions

What is the IUPAC name of [4-[3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]phenyl]methanol?
The IUPAC name of [4-[3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]phenyl]methanol (CID 134807087) is [4-[3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]phenyl]methanol.
What is the SMILES notation for [4-[3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]phenyl]methanol?
The canonical SMILES for [4-[3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]phenyl]methanol is Cc1ccsc1-c1[nH]nc2ncc(-c3ccc(CO)cc3)nc12.
What is the InChIKey of [4-[3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]phenyl]methanol?
The InChIKey is OXOAUWYORRNNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4OS/c1-10-6-7-23-16(10)14-15-17(21-20-14)18-8-13(19-15)12-4-2-11(9-22)3-5-12/h2-8,22H,9H2,1H3,(H,18,20,21).
What are the key properties of [4-[3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]phenyl]methanol?
[4-[3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]phenyl]methanol has a molecular weight of 322.39 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]phenyl]methanol is sourced from PubChem (CID 134807087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).