(2-fluorophenyl)-[7-(pyrimidin-2-yloxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone

C18H16FN5O2 — CID 133137350

IUPAC(2-fluorophenyl)-[7-(pyrimidin-2-yloxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
SMILESO=C(c1ccccc1F)N1Cc2ccnn2C(COc2ncccn2)C1
InChIInChI=1S/C18H16FN5O2/c19-16-5-2-1-4-15(16)17(25)23-10-13-6-9-22-24(13)14(11-23)12-26-18-20-7-3-8-21-18/h1-9,14H,10-12H2
InChIKeyYAFTZGRSSRHONB-UHFFFAOYSA-N
MW353.36 g/mol
LogP2.09
Rot. Bonds4

About (2-fluorophenyl)-[7-(pyrimidin-2-yloxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone

(2-fluorophenyl)-[7-(pyrimidin-2-yloxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone (PubChem CID 133137350) has the molecular formula C18H16FN5O2 and a molecular weight of 353.36 g/mol. Its IUPAC name is (2-fluorophenyl)-[7-(pyrimidin-2-yloxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-[7-(pyrimidin-2-yloxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
PubChem CID133137350
Molecular FormulaC18H16FN5O2
Molecular Weight353.36 g/mol
Exact Mass353.13
IUPAC Name(2-fluorophenyl)-[7-(pyrimidin-2-yloxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
SMILESO=C(c1ccccc1F)N1Cc2ccnn2C(COc2ncccn2)C1
InChIInChI=1S/C18H16FN5O2/c19-16-5-2-1-4-15(16)17(25)23-10-13-6-9-22-24(13)14(11-23)12-26-18-20-7-3-8-21-18/h1-9,14H,10-12H2
InChIKeyYAFTZGRSSRHONB-UHFFFAOYSA-N
XLogP2.09
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.36
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2-fluorophenyl)-[7-(pyrimidin-2-yloxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

pyrazin-2-yl-[7-(pyridin-2-yloxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;2,2,2-trifluoroacetic acid
CID 155861062
(2-fluorophenyl)-(3-pyrimidin-2-yloxypyrrolidin-1-yl)methanone
CID 122243263
(1-ethylpiperidin-4-yl)-[7-(pyridin-2-yloxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
CID 133137344
1-benzothiophen-2-yl-[(7R)-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
CID 124789016
(3-ethoxythiophen-2-yl)-[7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
CID 133139940
(2-fluorophenyl)-[(1R,5R)-9-(2-fluoro-3-pyridinyl)-9-hydroxy-3-azabicyclo[3.3.1]nonan-3-yl]methanone
CID 98137879
2-cyclopentyloxy-1-[7-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone
CID 133142404
N-methyl-2-[(7S)-5-(1-methylindole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide
CID 124814867
[7-(diethylaminomethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-pyrimidin-4-ylmethanone
CID 133140812
2-pyridin-2-yl-1-[7-(pyrrolidin-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone
CID 133142158
2-[4-(2-fluorobenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 110397164
(3-aminoazetidin-1-yl)-(2-fluorophenyl)methanone
CID 63755092

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-[7-(pyrimidin-2-yloxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone?
The IUPAC name of (2-fluorophenyl)-[7-(pyrimidin-2-yloxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone (CID 133137350) is (2-fluorophenyl)-[7-(pyrimidin-2-yloxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone.
What is the SMILES notation for (2-fluorophenyl)-[7-(pyrimidin-2-yloxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone?
The canonical SMILES for (2-fluorophenyl)-[7-(pyrimidin-2-yloxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone is O=C(c1ccccc1F)N1Cc2ccnn2C(COc2ncccn2)C1.
What is the InChIKey of (2-fluorophenyl)-[7-(pyrimidin-2-yloxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone?
The InChIKey is YAFTZGRSSRHONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5O2/c19-16-5-2-1-4-15(16)17(25)23-10-13-6-9-22-24(13)14(11-23)12-26-18-20-7-3-8-21-18/h1-9,14H,10-12H2.
What are the key properties of (2-fluorophenyl)-[7-(pyrimidin-2-yloxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone?
(2-fluorophenyl)-[7-(pyrimidin-2-yloxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone has a molecular weight of 353.36 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-[7-(pyrimidin-2-yloxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone is sourced from PubChem (CID 133137350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).