2-phenoxy-1-[2-[(pyrazin-2-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone

C19H20N6O2 — CID 121497667

IUPAC2-phenoxy-1-[2-[(pyrazin-2-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone
SMILESO=C(COc1ccccc1)N1CCn2nc(CNc3cnccn3)cc2C1
InChIInChI=1S/C19H20N6O2/c26-19(14-27-17-4-2-1-3-5-17)24-8-9-25-16(13-24)10-15(23-25)11-22-18-12-20-6-7-21-18/h1-7,10,12H,8-9,11,13-14H2,(H,21,22)
InChIKeyBNLAGSXSTRBJOW-UHFFFAOYSA-N
MW364.41 g/mol
LogP1.71
Rot. Bonds6

About 2-phenoxy-1-[2-[(pyrazin-2-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone

2-phenoxy-1-[2-[(pyrazin-2-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone (PubChem CID 121497667) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is 2-phenoxy-1-[2-[(pyrazin-2-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone.

Molecular Properties

Compound Name2-phenoxy-1-[2-[(pyrazin-2-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone
PubChem CID121497667
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC Name2-phenoxy-1-[2-[(pyrazin-2-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone
SMILESO=C(COc1ccccc1)N1CCn2nc(CNc3cnccn3)cc2C1
InChIInChI=1S/C19H20N6O2/c26-19(14-27-17-4-2-1-3-5-17)24-8-9-25-16(13-24)10-15(23-25)11-22-18-12-20-6-7-21-18/h1-7,10,12H,8-9,11,13-14H2,(H,21,22)
InChIKeyBNLAGSXSTRBJOW-UHFFFAOYSA-N
XLogP1.71
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-1-[2-[(pyrazin-2-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone?
The IUPAC name of 2-phenoxy-1-[2-[(pyrazin-2-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone (CID 121497667) is 2-phenoxy-1-[2-[(pyrazin-2-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone.
What is the SMILES notation for 2-phenoxy-1-[2-[(pyrazin-2-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone?
The canonical SMILES for 2-phenoxy-1-[2-[(pyrazin-2-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone is O=C(COc1ccccc1)N1CCn2nc(CNc3cnccn3)cc2C1.
What is the InChIKey of 2-phenoxy-1-[2-[(pyrazin-2-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone?
The InChIKey is BNLAGSXSTRBJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2/c26-19(14-27-17-4-2-1-3-5-17)24-8-9-25-16(13-24)10-15(23-25)11-22-18-12-20-6-7-21-18/h1-7,10,12H,8-9,11,13-14H2,(H,21,22).
What are the key properties of 2-phenoxy-1-[2-[(pyrazin-2-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone?
2-phenoxy-1-[2-[(pyrazin-2-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone has a molecular weight of 364.41 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-1-[2-[(pyrazin-2-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone is sourced from PubChem (CID 121497667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).