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

C22H19FN4O3 — CID 91892918

IUPAC4-fluoro-N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]benzamide
SMILESCOc1cccc(-c2cc3c(=O)n(CCNC(=O)c4ccc(F)cc4)ccn3n2)c1
InChIInChI=1S/C22H19FN4O3/c1-30-18-4-2-3-16(13-18)19-14-20-22(29)26(11-12-27(20)25-19)10-9-24-21(28)15-5-7-17(23)8-6-15/h2-8,11-14H,9-10H2,1H3,(H,24,28)
InChIKeyPQQIAEQSIZQRJI-UHFFFAOYSA-N
MW406.42 g/mol
LogP2.74
Rot. Bonds6

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

4-fluoro-N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]benzamide (PubChem CID 91892918) has the molecular formula C22H19FN4O3 and a molecular weight of 406.42 g/mol. Its IUPAC name is 4-fluoro-N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]benzamide
PubChem CID91892918
Molecular FormulaC22H19FN4O3
Molecular Weight406.42 g/mol
Exact Mass406.14
IUPAC Name4-fluoro-N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]benzamide
SMILESCOc1cccc(-c2cc3c(=O)n(CCNC(=O)c4ccc(F)cc4)ccn3n2)c1
InChIInChI=1S/C22H19FN4O3/c1-30-18-4-2-3-16(13-18)19-14-20-22(29)26(11-12-27(20)25-19)10-9-24-21(28)15-5-7-17(23)8-6-15/h2-8,11-14H,9-10H2,1H3,(H,24,28)
InChIKeyPQQIAEQSIZQRJI-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

3,5-dimethoxy-N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]benzamide
CID 91892925
2,6-difluoro-N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]benzamide
CID 91892885
N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3,4-dimethylbenzamide
CID 91892931
2,5-difluoro-N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]benzamide
CID 91892897
2-(4-fluorophenoxy)-N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]acetamide
CID 91892902
2-fluoro-N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]benzamide
CID 91892920
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
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
N-[2-[2-(2,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-4-fluorobenzamide
CID 91892782
5-ethyl-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 172906425

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]benzamide?
The IUPAC name of 4-fluoro-N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]benzamide (CID 91892918) is 4-fluoro-N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]benzamide is COc1cccc(-c2cc3c(=O)n(CCNC(=O)c4ccc(F)cc4)ccn3n2)c1.
What is the InChIKey of 4-fluoro-N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]benzamide?
The InChIKey is PQQIAEQSIZQRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O3/c1-30-18-4-2-3-16(13-18)19-14-20-22(29)26(11-12-27(20)25-19)10-9-24-21(28)15-5-7-17(23)8-6-15/h2-8,11-14H,9-10H2,1H3,(H,24,28).
What are the key properties of 4-fluoro-N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]benzamide?
4-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 4-fluoro-N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]benzamide is sourced from PubChem (CID 91892918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).