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

C20H18N4O4 — CID 91892679

IUPACN-[2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]furan-3-carboxamide
SMILESCOc1ccc(-c2cc3c(=O)n(CCNC(=O)c4ccoc4)ccn3n2)cc1
InChIInChI=1S/C20H18N4O4/c1-27-16-4-2-14(3-5-16)17-12-18-20(26)23(9-10-24(18)22-17)8-7-21-19(25)15-6-11-28-13-15/h2-6,9-13H,7-8H2,1H3,(H,21,25)
InChIKeyXEAUDAITNZNCCT-UHFFFAOYSA-N
MW378.39 g/mol
LogP2.19
Rot. Bonds6

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

N-[2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]furan-3-carboxamide (PubChem CID 91892679) has the molecular formula C20H18N4O4 and a molecular weight of 378.39 g/mol. Its IUPAC name is N-[2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]furan-3-carboxamide
PubChem CID91892679
Molecular FormulaC20H18N4O4
Molecular Weight378.39 g/mol
Exact Mass378.13
IUPAC NameN-[2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]furan-3-carboxamide
SMILESCOc1ccc(-c2cc3c(=O)n(CCNC(=O)c4ccoc4)ccn3n2)cc1
InChIInChI=1S/C20H18N4O4/c1-27-16-4-2-14(3-5-16)17-12-18-20(26)23(9-10-24(18)22-17)8-7-21-19(25)15-6-11-28-13-15/h2-6,9-13H,7-8H2,1H3,(H,21,25)
InChIKeyXEAUDAITNZNCCT-UHFFFAOYSA-N
XLogP2.19
TPSA90.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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N-[(4-Ethoxyphenyl)methyl]-2-{7-methyl-4-oxo-2-phenyl-4H,5H-pyrazolo[1,5-D][1,2,4]triazin-5-YL}acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]furan-3-carboxamide?
The IUPAC name of N-[2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]furan-3-carboxamide (CID 91892679) is N-[2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]furan-3-carboxamide.
What is the SMILES notation for N-[2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]furan-3-carboxamide?
The canonical SMILES for N-[2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]furan-3-carboxamide is COc1ccc(-c2cc3c(=O)n(CCNC(=O)c4ccoc4)ccn3n2)cc1.
What is the InChIKey of N-[2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]furan-3-carboxamide?
The InChIKey is XEAUDAITNZNCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O4/c1-27-16-4-2-14(3-5-16)17-12-18-20(26)23(9-10-24(18)22-17)8-7-21-19(25)15-6-11-28-13-15/h2-6,9-13H,7-8H2,1H3,(H,21,25).
What are the key properties of N-[2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]furan-3-carboxamide?
N-[2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]furan-3-carboxamide has a molecular weight of 378.39 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]furan-3-carboxamide is sourced from PubChem (CID 91892679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).