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

C21H20N4O3S — CID 91892921

IUPACN-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-thiophen-2-ylacetamide
SMILESCOc1cccc(-c2cc3c(=O)n(CCNC(=O)Cc4cccs4)ccn3n2)c1
InChIInChI=1S/C21H20N4O3S/c1-28-16-5-2-4-15(12-16)18-14-19-21(27)24(9-10-25(19)23-18)8-7-22-20(26)13-17-6-3-11-29-17/h2-6,9-12,14H,7-8,13H2,1H3,(H,22,26)
InChIKeyJIONWVNQUUSJQL-UHFFFAOYSA-N
MW408.48 g/mol
LogP2.59
Rot. Bonds7

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

N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-thiophen-2-ylacetamide (PubChem CID 91892921) has the molecular formula C21H20N4O3S and a molecular weight of 408.48 g/mol. Its IUPAC name is N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-thiophen-2-ylacetamide
PubChem CID91892921
Molecular FormulaC21H20N4O3S
Molecular Weight408.48 g/mol
Exact Mass408.13
IUPAC NameN-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-thiophen-2-ylacetamide
SMILESCOc1cccc(-c2cc3c(=O)n(CCNC(=O)Cc4cccs4)ccn3n2)c1
InChIInChI=1S/C21H20N4O3S/c1-28-16-5-2-4-15(12-16)18-14-19-21(27)24(9-10-25(19)23-18)8-7-22-20(26)13-17-6-3-11-29-17/h2-6,9-12,14H,7-8,13H2,1H3,(H,22,26)
InChIKeyJIONWVNQUUSJQL-UHFFFAOYSA-N
XLogP2.59
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(S)-1-(5-((2-aminopropanamido)methyl)thiophen-3-yl)-N-(2-methoxybenzyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 25218467
Pyrazole scaffold, 10a
CID 25218468
Pyrazole scaffold, 7e
CID 25218476
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 20856297
Pyrazole scaffold, 10e
CID 25218481
N-[2-(diethylamino)ethyl]-3-(3-methoxyphenyl)-1-methyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 15995385
3-(3-methoxyphenyl)-1-methyl-5-[(4-phenylpiperazin-1-yl)carbonyl]-1H-thieno[2,3-c]pyrazole
CID 3245961
3-(3-Methoxyphenyl)-1-methyl-N-[(4-methylphenyl)methyl]-1H-thieno[2,3-C]pyrazole-5-carboxamide
CID 9550974
2H-Indazole-6-carboxamide, 2-ethyl-3-methoxy-N-[2-(2-thienyl)ethyl]-
CID 11958678
N-[(2,5-Dimethoxyphenyl)methyl]-1-methyl-1H,4H-thiochromeno[4,3-C]pyrazole-3-carboxamide
CID 16017141
3-(3-methoxyphenyl)-N-(3-methoxypropyl)-1-methyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 16020320
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 16546563

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-thiophen-2-ylacetamide (CID 91892921) is N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-thiophen-2-ylacetamide is COc1cccc(-c2cc3c(=O)n(CCNC(=O)Cc4cccs4)ccn3n2)c1.
What is the InChIKey of N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-thiophen-2-ylacetamide?
The InChIKey is JIONWVNQUUSJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3S/c1-28-16-5-2-4-15(12-16)18-14-19-21(27)24(9-10-25(19)23-18)8-7-22-20(26)13-17-6-3-11-29-17/h2-6,9-12,14H,7-8,13H2,1H3,(H,22,26).
What are the key properties of N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-thiophen-2-ylacetamide?
N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-thiophen-2-ylacetamide has a molecular weight of 408.48 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 91892921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).