N-[(1R)-1-(3-cyano-2-fluorophenyl)ethyl]-1-(2-fluorophenyl)-6-oxopyridazine-3-carboxamide

C20H14F2N4O2 — CID 167473612

IUPACN-[(1R)-1-(3-cyano-2-fluorophenyl)ethyl]-1-(2-fluorophenyl)-6-oxopyridazine-3-carboxamide
SMILESC[C@@H](NC(=O)c1ccc(=O)n(-c2ccccc2F)n1)c1cccc(C#N)c1F
InChIInChI=1S/C20H14F2N4O2/c1-12(14-6-4-5-13(11-23)19(14)22)24-20(28)16-9-10-18(27)26(25-16)17-8-3-2-7-15(17)21/h2-10,12H,1H3,(H,24,28)/t12-/m1/s1
InChIKeyJBIFALUASLJUGX-GFCCVEGCSA-N
MW380.35 g/mol
LogP2.87
Rot. Bonds4

About N-[(1R)-1-(3-cyano-2-fluorophenyl)ethyl]-1-(2-fluorophenyl)-6-oxopyridazine-3-carboxamide

N-[(1R)-1-(3-cyano-2-fluorophenyl)ethyl]-1-(2-fluorophenyl)-6-oxopyridazine-3-carboxamide (PubChem CID 167473612) has the molecular formula C20H14F2N4O2 and a molecular weight of 380.35 g/mol. Its IUPAC name is N-[(1R)-1-(3-cyano-2-fluorophenyl)ethyl]-1-(2-fluorophenyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(3-cyano-2-fluorophenyl)ethyl]-1-(2-fluorophenyl)-6-oxopyridazine-3-carboxamide
PubChem CID167473612
Molecular FormulaC20H14F2N4O2
Molecular Weight380.35 g/mol
Exact Mass380.11
IUPAC NameN-[(1R)-1-(3-cyano-2-fluorophenyl)ethyl]-1-(2-fluorophenyl)-6-oxopyridazine-3-carboxamide
SMILESC[C@@H](NC(=O)c1ccc(=O)n(-c2ccccc2F)n1)c1cccc(C#N)c1F
InChIInChI=1S/C20H14F2N4O2/c1-12(14-6-4-5-13(11-23)19(14)22)24-20(28)16-9-10-18(27)26(25-16)17-8-3-2-7-15(17)21/h2-10,12H,1H3,(H,24,28)/t12-/m1/s1
InChIKeyJBIFALUASLJUGX-GFCCVEGCSA-N
XLogP2.87
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.35
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1R)-1-(3-cyano-2-fluorophenyl)ethyl]-1-(2-fluorophenyl)-6-oxopyridazine-3-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-[(1R)-1-(3-cyano-2-fluorophenyl)ethyl]-1-(2-fluorophenyl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[(1R)-1-(3-cyano-2-fluorophenyl)ethyl]-1-(2-fluorophenyl)-6-oxopyridazine-3-carboxamide (CID 167473612) is N-[(1R)-1-(3-cyano-2-fluorophenyl)ethyl]-1-(2-fluorophenyl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-(3-cyano-2-fluorophenyl)ethyl]-1-(2-fluorophenyl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[(1R)-1-(3-cyano-2-fluorophenyl)ethyl]-1-(2-fluorophenyl)-6-oxopyridazine-3-carboxamide is C[C@@H](NC(=O)c1ccc(=O)n(-c2ccccc2F)n1)c1cccc(C#N)c1F.
What is the InChIKey of N-[(1R)-1-(3-cyano-2-fluorophenyl)ethyl]-1-(2-fluorophenyl)-6-oxopyridazine-3-carboxamide?
The InChIKey is JBIFALUASLJUGX-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H14F2N4O2/c1-12(14-6-4-5-13(11-23)19(14)22)24-20(28)16-9-10-18(27)26(25-16)17-8-3-2-7-15(17)21/h2-10,12H,1H3,(H,24,28)/t12-/m1/s1.
What are the key properties of N-[(1R)-1-(3-cyano-2-fluorophenyl)ethyl]-1-(2-fluorophenyl)-6-oxopyridazine-3-carboxamide?
N-[(1R)-1-(3-cyano-2-fluorophenyl)ethyl]-1-(2-fluorophenyl)-6-oxopyridazine-3-carboxamide has a molecular weight of 380.35 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-cyano-2-fluorophenyl)ethyl]-1-(2-fluorophenyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 167473612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).