5-[4-(dimethylamino)-2-pyridinyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C20H21N5O2 — CID 67973966

IUPAC5-[4-(dimethylamino)-2-pyridinyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCN(C)c1ccnc(N2CCn3nc(COc4ccccc4)cc3C2=O)c1
InChIInChI=1S/C20H21N5O2/c1-23(2)16-8-9-21-19(13-16)24-10-11-25-18(20(24)26)12-15(22-25)14-27-17-6-4-3-5-7-17/h3-9,12-13H,10-11,14H2,1-2H3
InChIKeyICNWXHUOBIYUPD-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.58
Rot. Bonds5

About 5-[4-(dimethylamino)-2-pyridinyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

5-[4-(dimethylamino)-2-pyridinyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 67973966) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 5-[4-(dimethylamino)-2-pyridinyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-[4-(dimethylamino)-2-pyridinyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID67973966
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name5-[4-(dimethylamino)-2-pyridinyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCN(C)c1ccnc(N2CCn3nc(COc4ccccc4)cc3C2=O)c1
InChIInChI=1S/C20H21N5O2/c1-23(2)16-8-9-21-19(13-16)24-10-11-25-18(20(24)26)12-15(22-25)14-27-17-6-4-3-5-7-17/h3-9,12-13H,10-11,14H2,1-2H3
InChIKeyICNWXHUOBIYUPD-UHFFFAOYSA-N
XLogP2.58
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(dimethylamino)-2-pyridinyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-[4-(dimethylamino)-2-pyridinyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 67973966) is 5-[4-(dimethylamino)-2-pyridinyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-[4-(dimethylamino)-2-pyridinyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-[4-(dimethylamino)-2-pyridinyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is CN(C)c1ccnc(N2CCn3nc(COc4ccccc4)cc3C2=O)c1.
What is the InChIKey of 5-[4-(dimethylamino)-2-pyridinyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is ICNWXHUOBIYUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-23(2)16-8-9-21-19(13-16)24-10-11-25-18(20(24)26)12-15(22-25)14-27-17-6-4-3-5-7-17/h3-9,12-13H,10-11,14H2,1-2H3.
What are the key properties of 5-[4-(dimethylamino)-2-pyridinyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
5-[4-(dimethylamino)-2-pyridinyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 363.42 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(dimethylamino)-2-pyridinyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 67973966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).