3-[2-(hydroxymethyl)-4-morpholin-4-ylpyrazolo[1,5-a]pyrazin-6-yl]phenol

C17H18N4O3 — CID 53353946

IUPAC3-[2-(hydroxymethyl)-4-morpholin-4-ylpyrazolo[1,5-a]pyrazin-6-yl]phenol
SMILESOCc1cc2c(N3CCOCC3)nc(-c3cccc(O)c3)cn2n1
InChIInChI=1S/C17H18N4O3/c22-11-13-9-16-17(20-4-6-24-7-5-20)18-15(10-21(16)19-13)12-2-1-3-14(23)8-12/h1-3,8-10,22-23H,4-7,11H2
InChIKeyOQBILOUOCQEOIF-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.43
Rot. Bonds3

About 3-[2-(hydroxymethyl)-4-morpholin-4-ylpyrazolo[1,5-a]pyrazin-6-yl]phenol

3-[2-(hydroxymethyl)-4-morpholin-4-ylpyrazolo[1,5-a]pyrazin-6-yl]phenol (PubChem CID 53353946) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is 3-[2-(hydroxymethyl)-4-morpholin-4-ylpyrazolo[1,5-a]pyrazin-6-yl]phenol.

Molecular Properties

Compound Name3-[2-(hydroxymethyl)-4-morpholin-4-ylpyrazolo[1,5-a]pyrazin-6-yl]phenol
PubChem CID53353946
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name3-[2-(hydroxymethyl)-4-morpholin-4-ylpyrazolo[1,5-a]pyrazin-6-yl]phenol
SMILESOCc1cc2c(N3CCOCC3)nc(-c3cccc(O)c3)cn2n1
InChIInChI=1S/C17H18N4O3/c22-11-13-9-16-17(20-4-6-24-7-5-20)18-15(10-21(16)19-13)12-2-1-3-14(23)8-12/h1-3,8-10,22-23H,4-7,11H2
InChIKeyOQBILOUOCQEOIF-UHFFFAOYSA-N
XLogP1.43
TPSA83.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-(8-morpholin-4-ylimidazo[1,5-a]pyrazin-6-yl)phenol
CID 53353950
3-[8-morpholin-4-yl-2-(morpholin-4-ylmethyl)imidazo[1,2-a]pyrazin-6-yl]phenol
CID 57394839
ethyl 6-(3-methoxyphenyl)-4-morpholin-4-ylpyrazolo[1,5-a]pyrazine-2-carboxylate
CID 71273464
[5-[4-morpholin-4-yl-2-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyrazin-6-yl]pyrimidin-2-yl]phosphane
CID 126660886
4-[[6-(3-hydroxyphenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]piperazine-1-carboxylic acid
CID 90067954
5-[4-morpholin-4-yl-2-(piperazin-1-ylmethyl)pyrazolo[1,5-a]pyrazin-6-yl]pyrimidin-2-amine
CID 67294692
3-(7-morpholin-4-yl-2H-triazolo[4,5-d]pyrimidin-5-yl)phenol
CID 173099726
3-(8-morpholin-4-yl-[1,2,4]triazolo[3,4-f][1,2,4]triazin-6-yl)phenol
CID 118213801
3-[8-morpholin-4-yl-3-[4-(sulfonylmethyl)piperazin-1-yl]imidazo[1,2-a]pyrazin-6-yl]phenol
CID 87172983
3-(4-morpholin-4-ylphenyl)phenol
CID 46887508
3-(3-morpholin-4-yl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl)phenol
CID 129055829
5-[2-[[(1-methylsulfonylpiperidin-4-yl)amino]methyl]-4-morpholin-4-ylpyrazolo[1,5-a]pyrazin-6-yl]pyrimidin-2-amine
CID 53354044

Frequently Asked Questions

What is the IUPAC name of 3-[2-(hydroxymethyl)-4-morpholin-4-ylpyrazolo[1,5-a]pyrazin-6-yl]phenol?
The IUPAC name of 3-[2-(hydroxymethyl)-4-morpholin-4-ylpyrazolo[1,5-a]pyrazin-6-yl]phenol (CID 53353946) is 3-[2-(hydroxymethyl)-4-morpholin-4-ylpyrazolo[1,5-a]pyrazin-6-yl]phenol.
What is the SMILES notation for 3-[2-(hydroxymethyl)-4-morpholin-4-ylpyrazolo[1,5-a]pyrazin-6-yl]phenol?
The canonical SMILES for 3-[2-(hydroxymethyl)-4-morpholin-4-ylpyrazolo[1,5-a]pyrazin-6-yl]phenol is OCc1cc2c(N3CCOCC3)nc(-c3cccc(O)c3)cn2n1.
What is the InChIKey of 3-[2-(hydroxymethyl)-4-morpholin-4-ylpyrazolo[1,5-a]pyrazin-6-yl]phenol?
The InChIKey is OQBILOUOCQEOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c22-11-13-9-16-17(20-4-6-24-7-5-20)18-15(10-21(16)19-13)12-2-1-3-14(23)8-12/h1-3,8-10,22-23H,4-7,11H2.
What are the key properties of 3-[2-(hydroxymethyl)-4-morpholin-4-ylpyrazolo[1,5-a]pyrazin-6-yl]phenol?
3-[2-(hydroxymethyl)-4-morpholin-4-ylpyrazolo[1,5-a]pyrazin-6-yl]phenol has a molecular weight of 326.36 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(hydroxymethyl)-4-morpholin-4-ylpyrazolo[1,5-a]pyrazin-6-yl]phenol is sourced from PubChem (CID 53353946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).