2-fluoro-N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]benzamide

C22H19FN4O3 — CID 91892920

IUPAC2-fluoro-N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]benzamide
SMILESCOc1cccc(-c2cc3c(=O)n(CCNC(=O)c4ccccc4F)ccn3n2)c1
InChIInChI=1S/C22H19FN4O3/c1-30-16-6-4-5-15(13-16)19-14-20-22(29)26(11-12-27(20)25-19)10-9-24-21(28)17-7-2-3-8-18(17)23/h2-8,11-14H,9-10H2,1H3,(H,24,28)
InChIKeyCGQXFMLNIZDQAU-UHFFFAOYSA-N
MW406.42 g/mol
LogP2.74
Rot. Bonds6

About 2-fluoro-N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]benzamide

2-fluoro-N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]benzamide (PubChem CID 91892920) has the molecular formula C22H19FN4O3 and a molecular weight of 406.42 g/mol. Its IUPAC name is 2-fluoro-N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]benzamide
PubChem CID91892920
Molecular FormulaC22H19FN4O3
Molecular Weight406.42 g/mol
Exact Mass406.14
IUPAC Name2-fluoro-N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]benzamide
SMILESCOc1cccc(-c2cc3c(=O)n(CCNC(=O)c4ccccc4F)ccn3n2)c1
InChIInChI=1S/C22H19FN4O3/c1-30-16-6-4-5-15(13-16)19-14-20-22(29)26(11-12-27(20)25-19)10-9-24-21(28)17-7-2-3-8-18(17)23/h2-8,11-14H,9-10H2,1H3,(H,24,28)
InChIKeyCGQXFMLNIZDQAU-UHFFFAOYSA-N
XLogP2.74
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.42
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,6-difluoro-N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]benzamide
CID 91892885
2,5-difluoro-N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]benzamide
CID 91892897
4-fluoro-N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]benzamide
CID 91892918
3,5-dimethoxy-N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]benzamide
CID 91892925
N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3,4-dimethylbenzamide
CID 91892931
2-(4-fluorophenoxy)-N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]acetamide
CID 91892902
3-(dimethylamino)-N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]benzamide
CID 91892927
N-[2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3-methoxybenzamide
CID 91892743
5-ethyl-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 172906425
N-[2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2,5-difluorobenzamide
CID 91892722
N-[2-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3-fluoro-4-methoxybenzamide
CID 91892842
3-(dimethylamino)-N-[2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]benzamide
CID 91892706

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]benzamide (CID 91892920) is 2-fluoro-N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]benzamide is COc1cccc(-c2cc3c(=O)n(CCNC(=O)c4ccccc4F)ccn3n2)c1.
What is the InChIKey of 2-fluoro-N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]benzamide?
The InChIKey is CGQXFMLNIZDQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O3/c1-30-16-6-4-5-15(13-16)19-14-20-22(29)26(11-12-27(20)25-19)10-9-24-21(28)17-7-2-3-8-18(17)23/h2-8,11-14H,9-10H2,1H3,(H,24,28).
What are the key properties of 2-fluoro-N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]benzamide?
2-fluoro-N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]benzamide has a molecular weight of 406.42 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]benzamide is sourced from PubChem (CID 91892920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).