2-(4-fluorophenyl)-3-(hydroxymethyl)-5-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]pyrazolo[1,5-a]pyrazin-4-one

C24H21FN4O4 — CID 91887273

IUPAC2-(4-fluorophenyl)-3-(hydroxymethyl)-5-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESCc1ccc2c(c1)N(C(=O)Cn1ccn3nc(-c4ccc(F)cc4)c(CO)c3c1=O)CCO2
InChIInChI=1S/C24H21FN4O4/c1-15-2-7-20-19(12-15)28(10-11-33-20)21(31)13-27-8-9-29-23(24(27)32)18(14-30)22(26-29)16-3-5-17(25)6-4-16/h2-9,12,30H,10-11,13-14H2,1H3
InChIKeyXUERHMQPQZYFIV-UHFFFAOYSA-N
MW448.45 g/mol
LogP2.53
Rot. Bonds4

About 2-(4-fluorophenyl)-3-(hydroxymethyl)-5-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]pyrazolo[1,5-a]pyrazin-4-one

2-(4-fluorophenyl)-3-(hydroxymethyl)-5-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 91887273) has the molecular formula C24H21FN4O4 and a molecular weight of 448.45 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-(hydroxymethyl)-5-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-(hydroxymethyl)-5-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]pyrazolo[1,5-a]pyrazin-4-one
PubChem CID91887273
Molecular FormulaC24H21FN4O4
Molecular Weight448.45 g/mol
Exact Mass448.15
IUPAC Name2-(4-fluorophenyl)-3-(hydroxymethyl)-5-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESCc1ccc2c(c1)N(C(=O)Cn1ccn3nc(-c4ccc(F)cc4)c(CO)c3c1=O)CCO2
InChIInChI=1S/C24H21FN4O4/c1-15-2-7-20-19(12-15)28(10-11-33-20)21(31)13-27-8-9-29-23(24(27)32)18(14-30)22(26-29)16-3-5-17(25)6-4-16/h2-9,12,30H,10-11,13-14H2,1H3
InChIKeyXUERHMQPQZYFIV-UHFFFAOYSA-N
XLogP2.53
TPSA89.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.45
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(4-fluorophenyl)-3-(hydroxymethyl)-5-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]pyrazolo[1,5-a]pyrazin-4-one 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 2-(4-fluorophenyl)-3-(hydroxymethyl)-5-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-(4-fluorophenyl)-3-(hydroxymethyl)-5-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]pyrazolo[1,5-a]pyrazin-4-one (CID 91887273) is 2-(4-fluorophenyl)-3-(hydroxymethyl)-5-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 2-(4-fluorophenyl)-3-(hydroxymethyl)-5-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-(4-fluorophenyl)-3-(hydroxymethyl)-5-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]pyrazolo[1,5-a]pyrazin-4-one is Cc1ccc2c(c1)N(C(=O)Cn1ccn3nc(-c4ccc(F)cc4)c(CO)c3c1=O)CCO2.
What is the InChIKey of 2-(4-fluorophenyl)-3-(hydroxymethyl)-5-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is XUERHMQPQZYFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O4/c1-15-2-7-20-19(12-15)28(10-11-33-20)21(31)13-27-8-9-29-23(24(27)32)18(14-30)22(26-29)16-3-5-17(25)6-4-16/h2-9,12,30H,10-11,13-14H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-3-(hydroxymethyl)-5-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]pyrazolo[1,5-a]pyrazin-4-one?
2-(4-fluorophenyl)-3-(hydroxymethyl)-5-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 448.45 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-(hydroxymethyl)-5-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 91887273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).