2-[2-(2-fluoro-4,5-dimethoxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

C18H16FN5O3 — CID 59722978

IUPAC2-[2-(2-fluoro-4,5-dimethoxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESCOc1cc(F)c(-c2nccc(-c3cc4n(n3)CCNC4=O)n2)cc1OC
InChIInChI=1S/C18H16FN5O3/c1-26-15-7-10(11(19)8-16(15)27-2)17-20-4-3-12(22-17)13-9-14-18(25)21-5-6-24(14)23-13/h3-4,7-9H,5-6H2,1-2H3,(H,21,25)
InChIKeyYCGNEVYVUNDRMC-UHFFFAOYSA-N
MW369.36 g/mol
LogP1.91
Rot. Bonds4

About 2-[2-(2-fluoro-4,5-dimethoxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

2-[2-(2-fluoro-4,5-dimethoxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 59722978) has the molecular formula C18H16FN5O3 and a molecular weight of 369.36 g/mol. Its IUPAC name is 2-[2-(2-fluoro-4,5-dimethoxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-[2-(2-fluoro-4,5-dimethoxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
PubChem CID59722978
Molecular FormulaC18H16FN5O3
Molecular Weight369.36 g/mol
Exact Mass369.12
IUPAC Name2-[2-(2-fluoro-4,5-dimethoxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESCOc1cc(F)c(-c2nccc(-c3cc4n(n3)CCNC4=O)n2)cc1OC
InChIInChI=1S/C18H16FN5O3/c1-26-15-7-10(11(19)8-16(15)27-2)17-20-4-3-12(22-17)13-9-14-18(25)21-5-6-24(14)23-13/h3-4,7-9H,5-6H2,1-2H3,(H,21,25)
InChIKeyYCGNEVYVUNDRMC-UHFFFAOYSA-N
XLogP1.91
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.36
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluoro-4,5-dimethoxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-[2-(2-fluoro-4,5-dimethoxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (CID 59722978) is 2-[2-(2-fluoro-4,5-dimethoxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 2-[2-(2-fluoro-4,5-dimethoxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-[2-(2-fluoro-4,5-dimethoxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is COc1cc(F)c(-c2nccc(-c3cc4n(n3)CCNC4=O)n2)cc1OC.
What is the InChIKey of 2-[2-(2-fluoro-4,5-dimethoxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is YCGNEVYVUNDRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5O3/c1-26-15-7-10(11(19)8-16(15)27-2)17-20-4-3-12(22-17)13-9-14-18(25)21-5-6-24(14)23-13/h3-4,7-9H,5-6H2,1-2H3,(H,21,25).
What are the key properties of 2-[2-(2-fluoro-4,5-dimethoxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
2-[2-(2-fluoro-4,5-dimethoxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 369.36 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluoro-4,5-dimethoxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 59722978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).