N-[1-(4-fluorophenyl)-2-hydroxyethyl]-6-naphthalen-2-yl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide

C25H19FN4O3 — CID 146848186

IUPACN-[1-(4-fluorophenyl)-2-hydroxyethyl]-6-naphthalen-2-yl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESO=C(NC(CO)c1ccc(F)cc1)c1cc2c(=O)[nH]c(-c3ccc4ccccc4c3)cn2n1
InChIInChI=1S/C25H19FN4O3/c26-19-9-7-16(8-10-19)22(14-31)28-24(32)20-12-23-25(33)27-21(13-30(23)29-20)18-6-5-15-3-1-2-4-17(15)11-18/h1-13,22,31H,14H2,(H,27,33)(H,28,32)
InChIKeySHUBXPWJENUDTQ-UHFFFAOYSA-N
MW442.45 g/mol
LogP3.45
Rot. Bonds5

About N-[1-(4-fluorophenyl)-2-hydroxyethyl]-6-naphthalen-2-yl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide

N-[1-(4-fluorophenyl)-2-hydroxyethyl]-6-naphthalen-2-yl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 146848186) has the molecular formula C25H19FN4O3 and a molecular weight of 442.45 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-2-hydroxyethyl]-6-naphthalen-2-yl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-2-hydroxyethyl]-6-naphthalen-2-yl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID146848186
Molecular FormulaC25H19FN4O3
Molecular Weight442.45 g/mol
Exact Mass442.14
IUPAC NameN-[1-(4-fluorophenyl)-2-hydroxyethyl]-6-naphthalen-2-yl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESO=C(NC(CO)c1ccc(F)cc1)c1cc2c(=O)[nH]c(-c3ccc4ccccc4c3)cn2n1
InChIInChI=1S/C25H19FN4O3/c26-19-9-7-16(8-10-19)22(14-31)28-24(32)20-12-23-25(33)27-21(13-30(23)29-20)18-6-5-15-3-1-2-4-17(15)11-18/h1-13,22,31H,14H2,(H,27,33)(H,28,32)
InChIKeySHUBXPWJENUDTQ-UHFFFAOYSA-N
XLogP3.45
TPSA99.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.45
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[1-(4-fluorophenyl)-2-hydroxyethyl]-6-naphthalen-2-yl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide 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-[1-(4-fluorophenyl)-2-hydroxyethyl]-6-naphthalen-2-yl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)-2-hydroxyethyl]-6-naphthalen-2-yl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide (CID 146848186) is N-[1-(4-fluorophenyl)-2-hydroxyethyl]-6-naphthalen-2-yl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-2-hydroxyethyl]-6-naphthalen-2-yl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-2-hydroxyethyl]-6-naphthalen-2-yl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide is O=C(NC(CO)c1ccc(F)cc1)c1cc2c(=O)[nH]c(-c3ccc4ccccc4c3)cn2n1.
What is the InChIKey of N-[1-(4-fluorophenyl)-2-hydroxyethyl]-6-naphthalen-2-yl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is SHUBXPWJENUDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN4O3/c26-19-9-7-16(8-10-19)22(14-31)28-24(32)20-12-23-25(33)27-21(13-30(23)29-20)18-6-5-15-3-1-2-4-17(15)11-18/h1-13,22,31H,14H2,(H,27,33)(H,28,32).
What are the key properties of N-[1-(4-fluorophenyl)-2-hydroxyethyl]-6-naphthalen-2-yl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
N-[1-(4-fluorophenyl)-2-hydroxyethyl]-6-naphthalen-2-yl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 442.45 g/mol, XLogP of 3.45, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-2-hydroxyethyl]-6-naphthalen-2-yl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 146848186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).