N-(3-fluoro-4-methylphenyl)-2-[2-(4-fluorophenyl)-3-(hydroxymethyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide

C22H18F2N4O3 — CID 91887259

IUPACN-(3-fluoro-4-methylphenyl)-2-[2-(4-fluorophenyl)-3-(hydroxymethyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide
SMILESCc1ccc(NC(=O)Cn2ccn3nc(-c4ccc(F)cc4)c(CO)c3c2=O)cc1F
InChIInChI=1S/C22H18F2N4O3/c1-13-2-7-16(10-18(13)24)25-19(30)11-27-8-9-28-21(22(27)31)17(12-29)20(26-28)14-3-5-15(23)6-4-14/h2-10,29H,11-12H2,1H3,(H,25,30)
InChIKeyBDCQPLBXVLAVBU-UHFFFAOYSA-N
MW424.41 g/mol
LogP2.88
Rot. Bonds5

About N-(3-fluoro-4-methylphenyl)-2-[2-(4-fluorophenyl)-3-(hydroxymethyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide

N-(3-fluoro-4-methylphenyl)-2-[2-(4-fluorophenyl)-3-(hydroxymethyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide (PubChem CID 91887259) has the molecular formula C22H18F2N4O3 and a molecular weight of 424.41 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-2-[2-(4-fluorophenyl)-3-(hydroxymethyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-2-[2-(4-fluorophenyl)-3-(hydroxymethyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide
PubChem CID91887259
Molecular FormulaC22H18F2N4O3
Molecular Weight424.41 g/mol
Exact Mass424.13
IUPAC NameN-(3-fluoro-4-methylphenyl)-2-[2-(4-fluorophenyl)-3-(hydroxymethyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide
SMILESCc1ccc(NC(=O)Cn2ccn3nc(-c4ccc(F)cc4)c(CO)c3c2=O)cc1F
InChIInChI=1S/C22H18F2N4O3/c1-13-2-7-16(10-18(13)24)25-19(30)11-27-8-9-28-21(22(27)31)17(12-29)20(26-28)14-3-5-15(23)6-4-14/h2-10,29H,11-12H2,1H3,(H,25,30)
InChIKeyBDCQPLBXVLAVBU-UHFFFAOYSA-N
XLogP2.88
TPSA88.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.41
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(3-fluoro-4-methylphenyl)-2-[2-(4-fluorophenyl)-3-(hydroxymethyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-2-[2-(4-fluorophenyl)-3-(hydroxymethyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-2-[2-(4-fluorophenyl)-3-(hydroxymethyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide (CID 91887259) is N-(3-fluoro-4-methylphenyl)-2-[2-(4-fluorophenyl)-3-(hydroxymethyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-2-[2-(4-fluorophenyl)-3-(hydroxymethyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-2-[2-(4-fluorophenyl)-3-(hydroxymethyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide is Cc1ccc(NC(=O)Cn2ccn3nc(-c4ccc(F)cc4)c(CO)c3c2=O)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-2-[2-(4-fluorophenyl)-3-(hydroxymethyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide?
The InChIKey is BDCQPLBXVLAVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N4O3/c1-13-2-7-16(10-18(13)24)25-19(30)11-27-8-9-28-21(22(27)31)17(12-29)20(26-28)14-3-5-15(23)6-4-14/h2-10,29H,11-12H2,1H3,(H,25,30).
What are the key properties of N-(3-fluoro-4-methylphenyl)-2-[2-(4-fluorophenyl)-3-(hydroxymethyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide?
N-(3-fluoro-4-methylphenyl)-2-[2-(4-fluorophenyl)-3-(hydroxymethyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide has a molecular weight of 424.41 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-2-[2-(4-fluorophenyl)-3-(hydroxymethyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide is sourced from PubChem (CID 91887259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).