4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methoxyphenoxy]pyrazolo[1,5-a]pyrazine

C19H17N5O2 — CID 118488441

IUPAC4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methoxyphenoxy]pyrazolo[1,5-a]pyrazine
SMILESCOc1cc(Oc2nccn3nccc23)ccc1-c1c(C)ncnc1C
InChIInChI=1S/C19H17N5O2/c1-12-18(13(2)22-11-21-12)15-5-4-14(10-17(15)25-3)26-19-16-6-7-23-24(16)9-8-20-19/h4-11H,1-3H3
InChIKeyWDYIBYXZWDKNPM-UHFFFAOYSA-N
MW347.38 g/mol
LogP3.60
Rot. Bonds4

About 4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methoxyphenoxy]pyrazolo[1,5-a]pyrazine

4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methoxyphenoxy]pyrazolo[1,5-a]pyrazine (PubChem CID 118488441) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methoxyphenoxy]pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methoxyphenoxy]pyrazolo[1,5-a]pyrazine
PubChem CID118488441
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Name4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methoxyphenoxy]pyrazolo[1,5-a]pyrazine
SMILESCOc1cc(Oc2nccn3nccc23)ccc1-c1c(C)ncnc1C
InChIInChI=1S/C19H17N5O2/c1-12-18(13(2)22-11-21-12)15-5-4-14(10-17(15)25-3)26-19-16-6-7-23-24(16)9-8-20-19/h4-11H,1-3H3
InChIKeyWDYIBYXZWDKNPM-UHFFFAOYSA-N
XLogP3.60
TPSA74.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-(4-bromophenoxy)pyrazolo[1,5-a]pyrazine
CID 104730206
(3-methoxy-4-pyrazolo[1,5-a]pyrazin-4-yloxyphenyl)methanol
CID 107743880
3-pyrazolo[1,5-a]pyrazin-4-yloxyaniline
CID 104732148
4-(3-bromophenoxy)pyrazolo[1,5-a]pyrazine
CID 104730194
3-methyl-4-pyrazolo[1,5-a]pyrazin-4-yloxyaniline
CID 104732228
1-[3-methoxy-4-(2-methyl-3-pyridinyl)phenoxy]pyrrolo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
CID 162321366
1-[4-(4,6-dimethylpyrimidin-5-yl)-2,5-difluorophenoxy]pyrrolo[1,2-a]pyrazine
CID 118488443
8-[4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenoxy]-1,7-naphthyridine
CID 118468690
5-pyrazolo[1,5-a]pyrazin-4-yloxypyridine-3-carboxylic acid
CID 104733277
4-pyrazolo[1,5-a]pyrazin-4-yloxynaphthalen-1-amine
CID 104732206
(3-ethoxy-4-pyrazolo[1,5-a]pyrazin-4-yloxyphenyl)methanamine
CID 104733328
5-methoxy-4-methylpyrazolo[1,5-a]pyridine
CID 130065771

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methoxyphenoxy]pyrazolo[1,5-a]pyrazine?
The IUPAC name of 4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methoxyphenoxy]pyrazolo[1,5-a]pyrazine (CID 118488441) is 4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methoxyphenoxy]pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methoxyphenoxy]pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methoxyphenoxy]pyrazolo[1,5-a]pyrazine is COc1cc(Oc2nccn3nccc23)ccc1-c1c(C)ncnc1C.
What is the InChIKey of 4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methoxyphenoxy]pyrazolo[1,5-a]pyrazine?
The InChIKey is WDYIBYXZWDKNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-12-18(13(2)22-11-21-12)15-5-4-14(10-17(15)25-3)26-19-16-6-7-23-24(16)9-8-20-19/h4-11H,1-3H3.
What are the key properties of 4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methoxyphenoxy]pyrazolo[1,5-a]pyrazine?
4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methoxyphenoxy]pyrazolo[1,5-a]pyrazine has a molecular weight of 347.38 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methoxyphenoxy]pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 118488441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).