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

C16H17N5O2 — CID 46205037

IUPAC3-(1-methyl-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)phenol
SMILESCn1ncc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21
InChIInChI=1S/C16H17N5O2/c1-20-15-13(10-17-20)14(11-3-2-4-12(22)9-11)18-16(19-15)21-5-7-23-8-6-21/h2-4,9-10,22H,5-8H2,1H3
InChIKeyFLBMXRLJHKTDGH-UHFFFAOYSA-N
MW311.34 g/mol
LogP1.57
Rot. Bonds2

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

3-(1-methyl-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)phenol (PubChem CID 46205037) has the molecular formula C16H17N5O2 and a molecular weight of 311.34 g/mol. Its IUPAC name is 3-(1-methyl-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)phenol.

Molecular Properties

Compound Name3-(1-methyl-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)phenol
PubChem CID46205037
Molecular FormulaC16H17N5O2
Molecular Weight311.34 g/mol
Exact Mass311.14
IUPAC Name3-(1-methyl-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)phenol
SMILESCn1ncc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21
InChIInChI=1S/C16H17N5O2/c1-20-15-13(10-17-20)14(11-3-2-4-12(22)9-11)18-16(19-15)21-5-7-23-8-6-21/h2-4,9-10,22H,5-8H2,1H3
InChIKeyFLBMXRLJHKTDGH-UHFFFAOYSA-N
XLogP1.57
TPSA76.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Etp-45658
CID 25229608
3-(4-Azanyl-1-propan-2-YL-pyrazolo(3,4-D)pyrimidin-3-YL)phenol
CID 24905143
Pyrazolo pyrimidine, 1
CID 44232672
3-{[4-Amino-1-(1-Methylethyl)-1h-Pyrazolo[3,4-D]pyrimidin-3-Yl]ethynyl}phenol
CID 44475985
3-(4-Morpholin-4-yl-1-piperidin-4-yl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)-phenol
CID 44520808
Pyrazolo pyrimidine, 5c
CID 44520810
3-[1-(1-Benzyl-piperidin-4-yl)-4-morpholin-4-yl-1H-pyrazolo[3,4-d]pyrimidin-6-yl]-phenol
CID 44520812
Pyrazolo pyrimidine, 5h
CID 135857415
3-(4-amino-7-(1-(2-hydroxyethyl)piperidin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenol
CID 18792861
Ethyl 3-(3-(3-hydroxyphenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 44225586
(S)-2-(3-(3-hydroxy-5-methylphenyl)-4-(6-(2-hydroxypropylamino)-2-(pyridin-3-yl)pyrimidin-4-yl)-1H-pyrazol-1-yl)acetonitrile
CID 44517769
Pyrazolo pyrimidine, 5b
CID 44520809

Frequently Asked Questions

What is the IUPAC name of 3-(1-methyl-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)phenol?
The IUPAC name of 3-(1-methyl-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)phenol (CID 46205037) is 3-(1-methyl-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)phenol.
What is the SMILES notation for 3-(1-methyl-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)phenol?
The canonical SMILES for 3-(1-methyl-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)phenol is Cn1ncc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21.
What is the InChIKey of 3-(1-methyl-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)phenol?
The InChIKey is FLBMXRLJHKTDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-20-15-13(10-17-20)14(11-3-2-4-12(22)9-11)18-16(19-15)21-5-7-23-8-6-21/h2-4,9-10,22H,5-8H2,1H3.
What are the key properties of 3-(1-methyl-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)phenol?
3-(1-methyl-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)phenol has a molecular weight of 311.34 g/mol, XLogP of 1.57, 2 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)phenol is sourced from PubChem (CID 46205037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).