[3-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyphenyl]methanol

C13H12N4O2 — CID 79868827

IUPAC[3-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyphenyl]methanol
SMILESCn1ncc2c(Oc3cccc(CO)c3)ncnc21
InChIInChI=1S/C13H12N4O2/c1-17-12-11(6-16-17)13(15-8-14-12)19-10-4-2-3-9(5-10)7-18/h2-6,8,18H,7H2,1H3
InChIKeyTYBPWSBHSUUEGV-UHFFFAOYSA-N
MW256.26 g/mol
LogP1.65
Rot. Bonds3

About [3-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyphenyl]methanol

[3-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyphenyl]methanol (PubChem CID 79868827) has the molecular formula C13H12N4O2 and a molecular weight of 256.26 g/mol. Its IUPAC name is [3-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyphenyl]methanol.

Molecular Properties

Compound Name[3-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyphenyl]methanol
PubChem CID79868827
Molecular FormulaC13H12N4O2
Molecular Weight256.26 g/mol
Exact Mass256.10
IUPAC Name[3-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyphenyl]methanol
SMILESCn1ncc2c(Oc3cccc(CO)c3)ncnc21
InChIInChI=1S/C13H12N4O2/c1-17-12-11(6-16-17)13(15-8-14-12)19-10-4-2-3-9(5-10)7-18/h2-6,8,18H,7H2,1H3
InChIKeyTYBPWSBHSUUEGV-UHFFFAOYSA-N
XLogP1.65
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [3-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyphenyl]methanol with MolForge

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Related Compounds

4-(3-methoxyphenoxy)-1-methylpyrazolo[5,4-d]pyrimidine
CID 154460653
4-(7-methoxynaphthalen-2-yl)oxy-1-methylpyrazolo[5,4-d]pyrimidine
CID 25315634
1-(3-methoxyphenyl)-3-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyphenyl]urea
CID 71575214
[3-(6-amino-5-ethylpyrimidin-4-yl)oxyphenyl]methanol
CID 80872602
[3-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]methanol
CID 79869651
1-methyl-4-[[3-[(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]phenyl]methylsulfanyl]pyrazolo[5,4-d]pyrimidine
CID 42103987
4-(4-chloronaphthalen-1-yl)oxy-1-methylpyrazolo[5,4-d]pyrimidine
CID 25315286
[3-(6-aminopyrimidin-4-yl)oxyphenyl]methanol
CID 80873838
methyl 3-bromo-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzoate
CID 25494302
2-(3-methoxyphenyl)-1-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanone
CID 16589661
6-[3-(hydroxymethyl)phenoxy]-5-methylpyridine-3-carbaldehyde
CID 80631507
[3-(6-methoxyisoquinolin-1-yl)oxyphenyl]methanol
CID 106541270

Frequently Asked Questions

What is the IUPAC name of [3-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyphenyl]methanol?
The IUPAC name of [3-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyphenyl]methanol (CID 79868827) is [3-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyphenyl]methanol.
What is the SMILES notation for [3-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyphenyl]methanol?
The canonical SMILES for [3-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyphenyl]methanol is Cn1ncc2c(Oc3cccc(CO)c3)ncnc21.
What is the InChIKey of [3-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyphenyl]methanol?
The InChIKey is TYBPWSBHSUUEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2/c1-17-12-11(6-16-17)13(15-8-14-12)19-10-4-2-3-9(5-10)7-18/h2-6,8,18H,7H2,1H3.
What are the key properties of [3-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyphenyl]methanol?
[3-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyphenyl]methanol has a molecular weight of 256.26 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyphenyl]methanol is sourced from PubChem (CID 79868827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).