5-(4-fluorophenyl)-2-[(6-methylpyrimidin-4-yl)oxymethyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C18H16FN5O2 — CID 67974587

IUPAC5-(4-fluorophenyl)-2-[(6-methylpyrimidin-4-yl)oxymethyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCc1cc(OCc2cc3n(n2)CCN(c2ccc(F)cc2)C3=O)ncn1
InChIInChI=1S/C18H16FN5O2/c1-12-8-17(21-11-20-12)26-10-14-9-16-18(25)23(6-7-24(16)22-14)15-4-2-13(19)3-5-15/h2-5,8-9,11H,6-7,10H2,1H3
InChIKeyKXRTUNLOZFOSKD-UHFFFAOYSA-N
MW353.36 g/mol
LogP2.36
Rot. Bonds4

About 5-(4-fluorophenyl)-2-[(6-methylpyrimidin-4-yl)oxymethyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

5-(4-fluorophenyl)-2-[(6-methylpyrimidin-4-yl)oxymethyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 67974587) has the molecular formula C18H16FN5O2 and a molecular weight of 353.36 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-2-[(6-methylpyrimidin-4-yl)oxymethyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-2-[(6-methylpyrimidin-4-yl)oxymethyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID67974587
Molecular FormulaC18H16FN5O2
Molecular Weight353.36 g/mol
Exact Mass353.13
IUPAC Name5-(4-fluorophenyl)-2-[(6-methylpyrimidin-4-yl)oxymethyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCc1cc(OCc2cc3n(n2)CCN(c2ccc(F)cc2)C3=O)ncn1
InChIInChI=1S/C18H16FN5O2/c1-12-8-17(21-11-20-12)26-10-14-9-16-18(25)23(6-7-24(16)22-14)15-4-2-13(19)3-5-15/h2-5,8-9,11H,6-7,10H2,1H3
InChIKeyKXRTUNLOZFOSKD-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(5-Methyl-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67973635
5-(4-fluorophenyl)-2-(pyridin-2-yloxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 67973779
5-(5-Methoxy-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67974348
5-(5-fluoropyridin-2-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one
CID 67974411
5-(5-Fluoropyrimidin-2-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67974471
2-(Phenoxymethyl)-5-pyridin-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67974497
5-(4-Fluorophenyl)-2-(pyridin-4-yloxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67976002
2-[(3-Fluorophenoxy)methyl]-5-(5-fluoro-2-pyridinyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 70654545
(7R)-5-(4-fluorophenyl)-2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 122190336
(7R)-2-[(5-chloro-2-pyridinyl)oxymethyl]-5-(4-fluorophenyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 122190337
(7R)-5-(2-fluorophenyl)-2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 122190389
(7R)-5-(3-fluorophenyl)-2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 122190390

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-2-[(6-methylpyrimidin-4-yl)oxymethyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-(4-fluorophenyl)-2-[(6-methylpyrimidin-4-yl)oxymethyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 67974587) is 5-(4-fluorophenyl)-2-[(6-methylpyrimidin-4-yl)oxymethyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-(4-fluorophenyl)-2-[(6-methylpyrimidin-4-yl)oxymethyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-(4-fluorophenyl)-2-[(6-methylpyrimidin-4-yl)oxymethyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is Cc1cc(OCc2cc3n(n2)CCN(c2ccc(F)cc2)C3=O)ncn1.
What is the InChIKey of 5-(4-fluorophenyl)-2-[(6-methylpyrimidin-4-yl)oxymethyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is KXRTUNLOZFOSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5O2/c1-12-8-17(21-11-20-12)26-10-14-9-16-18(25)23(6-7-24(16)22-14)15-4-2-13(19)3-5-15/h2-5,8-9,11H,6-7,10H2,1H3.
What are the key properties of 5-(4-fluorophenyl)-2-[(6-methylpyrimidin-4-yl)oxymethyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
5-(4-fluorophenyl)-2-[(6-methylpyrimidin-4-yl)oxymethyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 353.36 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-2-[(6-methylpyrimidin-4-yl)oxymethyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 67974587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).