[3-(1-methyl-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)phenyl]methanol

C17H19N5O2 — CID 51352898

IUPAC[3-(1-methyl-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)phenyl]methanol
SMILESCn1ncc2c(-c3cccc(CO)c3)nc(N3CCOCC3)nc21
InChIInChI=1S/C17H19N5O2/c1-21-16-14(10-18-21)15(13-4-2-3-12(9-13)11-23)19-17(20-16)22-5-7-24-8-6-22/h2-4,9-10,23H,5-8,11H2,1H3
InChIKeyHWSKTVFAYKUSSU-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.36
Rot. Bonds3

About [3-(1-methyl-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)phenyl]methanol

[3-(1-methyl-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)phenyl]methanol (PubChem CID 51352898) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is [3-(1-methyl-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)phenyl]methanol.

Molecular Properties

Compound Name[3-(1-methyl-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)phenyl]methanol
PubChem CID51352898
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name[3-(1-methyl-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)phenyl]methanol
SMILESCn1ncc2c(-c3cccc(CO)c3)nc(N3CCOCC3)nc21
InChIInChI=1S/C17H19N5O2/c1-21-16-14(10-18-21)15(13-4-2-3-12(9-13)11-23)19-17(20-16)22-5-7-24-8-6-22/h2-4,9-10,23H,5-8,11H2,1H3
InChIKeyHWSKTVFAYKUSSU-UHFFFAOYSA-N
XLogP1.36
TPSA76.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-(1-methyl-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)phenyl]methanol?
The IUPAC name of [3-(1-methyl-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)phenyl]methanol (CID 51352898) is [3-(1-methyl-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)phenyl]methanol.
What is the SMILES notation for [3-(1-methyl-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)phenyl]methanol?
The canonical SMILES for [3-(1-methyl-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)phenyl]methanol is Cn1ncc2c(-c3cccc(CO)c3)nc(N3CCOCC3)nc21.
What is the InChIKey of [3-(1-methyl-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)phenyl]methanol?
The InChIKey is HWSKTVFAYKUSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-21-16-14(10-18-21)15(13-4-2-3-12(9-13)11-23)19-17(20-16)22-5-7-24-8-6-22/h2-4,9-10,23H,5-8,11H2,1H3.
What are the key properties of [3-(1-methyl-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)phenyl]methanol?
[3-(1-methyl-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)phenyl]methanol has a molecular weight of 325.37 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-methyl-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)phenyl]methanol is sourced from PubChem (CID 51352898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).