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

C22H22N4O3S — CID 91892735

IUPACN-[2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-thiophen-2-ylacetamide
SMILESCCOc1ccc(-c2cc3c(=O)n(CCNC(=O)Cc4cccs4)ccn3n2)cc1
InChIInChI=1S/C22H22N4O3S/c1-2-29-17-7-5-16(6-8-17)19-15-20-22(28)25(11-12-26(20)24-19)10-9-23-21(27)14-18-4-3-13-30-18/h3-8,11-13,15H,2,9-10,14H2,1H3,(H,23,27)
InChIKeyBIWOLKXSYMPITO-UHFFFAOYSA-N
MW422.51 g/mol
LogP2.98
Rot. Bonds8

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

N-[2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-thiophen-2-ylacetamide (PubChem CID 91892735) has the molecular formula C22H22N4O3S and a molecular weight of 422.51 g/mol. Its IUPAC name is N-[2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-thiophen-2-ylacetamide
PubChem CID91892735
Molecular FormulaC22H22N4O3S
Molecular Weight422.51 g/mol
Exact Mass422.14
IUPAC NameN-[2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-thiophen-2-ylacetamide
SMILESCCOc1ccc(-c2cc3c(=O)n(CCNC(=O)Cc4cccs4)ccn3n2)cc1
InChIInChI=1S/C22H22N4O3S/c1-2-29-17-7-5-16(6-8-17)19-15-20-22(28)25(11-12-26(20)24-19)10-9-23-21(27)14-18-4-3-13-30-18/h3-8,11-13,15H,2,9-10,14H2,1H3,(H,23,27)
InChIKeyBIWOLKXSYMPITO-UHFFFAOYSA-N
XLogP2.98
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-thiophen-2-ylacetamide (CID 91892735) is N-[2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-thiophen-2-ylacetamide is CCOc1ccc(-c2cc3c(=O)n(CCNC(=O)Cc4cccs4)ccn3n2)cc1.
What is the InChIKey of N-[2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-thiophen-2-ylacetamide?
The InChIKey is BIWOLKXSYMPITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3S/c1-2-29-17-7-5-16(6-8-17)19-15-20-22(28)25(11-12-26(20)24-19)10-9-23-21(27)14-18-4-3-13-30-18/h3-8,11-13,15H,2,9-10,14H2,1H3,(H,23,27).
What are the key properties of N-[2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-thiophen-2-ylacetamide?
N-[2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-thiophen-2-ylacetamide has a molecular weight of 422.51 g/mol, XLogP of 2.98, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 91892735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).