N-[(3-ethoxy-4-methoxyphenyl)methyl]-3-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]propanamide

C25H25FN4O4 — CID 53332385

IUPACN-[(3-ethoxy-4-methoxyphenyl)methyl]-3-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]propanamide
SMILESCCOc1cc(CNC(=O)CCn2ccn3nc(-c4ccc(F)cc4)cc3c2=O)ccc1OC
InChIInChI=1S/C25H25FN4O4/c1-3-34-23-14-17(4-9-22(23)33-2)16-27-24(31)10-11-29-12-13-30-21(25(29)32)15-20(28-30)18-5-7-19(26)8-6-18/h4-9,12-15H,3,10-11,16H2,1-2H3,(H,27,31)
InChIKeyIWKBAIKJGSIWSJ-UHFFFAOYSA-N
MW464.50 g/mol
LogP3.42
Rot. Bonds9

About N-[(3-ethoxy-4-methoxyphenyl)methyl]-3-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]propanamide

N-[(3-ethoxy-4-methoxyphenyl)methyl]-3-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]propanamide (PubChem CID 53332385) has the molecular formula C25H25FN4O4 and a molecular weight of 464.50 g/mol. Its IUPAC name is N-[(3-ethoxy-4-methoxyphenyl)methyl]-3-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]propanamide.

Molecular Properties

Compound NameN-[(3-ethoxy-4-methoxyphenyl)methyl]-3-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]propanamide
PubChem CID53332385
Molecular FormulaC25H25FN4O4
Molecular Weight464.50 g/mol
Exact Mass464.19
IUPAC NameN-[(3-ethoxy-4-methoxyphenyl)methyl]-3-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]propanamide
SMILESCCOc1cc(CNC(=O)CCn2ccn3nc(-c4ccc(F)cc4)cc3c2=O)ccc1OC
InChIInChI=1S/C25H25FN4O4/c1-3-34-23-14-17(4-9-22(23)33-2)16-27-24(31)10-11-29-12-13-30-21(25(29)32)15-20(28-30)18-5-7-19(26)8-6-18/h4-9,12-15H,3,10-11,16H2,1-2H3,(H,27,31)
InChIKeyIWKBAIKJGSIWSJ-UHFFFAOYSA-N
XLogP3.42
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.50
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxy-4-methoxyphenyl)methyl]-3-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]propanamide?
The IUPAC name of N-[(3-ethoxy-4-methoxyphenyl)methyl]-3-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]propanamide (CID 53332385) is N-[(3-ethoxy-4-methoxyphenyl)methyl]-3-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]propanamide.
What is the SMILES notation for N-[(3-ethoxy-4-methoxyphenyl)methyl]-3-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]propanamide?
The canonical SMILES for N-[(3-ethoxy-4-methoxyphenyl)methyl]-3-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]propanamide is CCOc1cc(CNC(=O)CCn2ccn3nc(-c4ccc(F)cc4)cc3c2=O)ccc1OC.
What is the InChIKey of N-[(3-ethoxy-4-methoxyphenyl)methyl]-3-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]propanamide?
The InChIKey is IWKBAIKJGSIWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O4/c1-3-34-23-14-17(4-9-22(23)33-2)16-27-24(31)10-11-29-12-13-30-21(25(29)32)15-20(28-30)18-5-7-19(26)8-6-18/h4-9,12-15H,3,10-11,16H2,1-2H3,(H,27,31).
What are the key properties of N-[(3-ethoxy-4-methoxyphenyl)methyl]-3-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]propanamide?
N-[(3-ethoxy-4-methoxyphenyl)methyl]-3-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]propanamide has a molecular weight of 464.50 g/mol, XLogP of 3.42, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxy-4-methoxyphenyl)methyl]-3-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]propanamide is sourced from PubChem (CID 53332385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).