N-(4-chlorophenyl)-6-[3-[2-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]pyridazine-3-carboxamide

C23H19ClF3N5O2 — CID 91181233

IUPACN-(4-chlorophenyl)-6-[3-[2-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]pyridazine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1ccc(N2CCCN(C(=O)c3ccccc3C(F)(F)F)C2)nn1
InChIInChI=1S/C23H19ClF3N5O2/c24-15-6-8-16(9-7-15)28-21(33)19-10-11-20(30-29-19)31-12-3-13-32(14-31)22(34)17-4-1-2-5-18(17)23(25,26)27/h1-2,4-11H,3,12-14H2,(H,28,33)
InChIKeyBQUBCJZJBHLHPD-UHFFFAOYSA-N
MW489.89 g/mol
LogP4.71
Rot. Bonds4

About N-(4-chlorophenyl)-6-[3-[2-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]pyridazine-3-carboxamide

N-(4-chlorophenyl)-6-[3-[2-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]pyridazine-3-carboxamide (PubChem CID 91181233) has the molecular formula C23H19ClF3N5O2 and a molecular weight of 489.89 g/mol. Its IUPAC name is N-(4-chlorophenyl)-6-[3-[2-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-6-[3-[2-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]pyridazine-3-carboxamide
PubChem CID91181233
Molecular FormulaC23H19ClF3N5O2
Molecular Weight489.89 g/mol
Exact Mass489.12
IUPAC NameN-(4-chlorophenyl)-6-[3-[2-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]pyridazine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1ccc(N2CCCN(C(=O)c3ccccc3C(F)(F)F)C2)nn1
InChIInChI=1S/C23H19ClF3N5O2/c24-15-6-8-16(9-7-15)28-21(33)19-10-11-20(30-29-19)31-12-3-13-32(14-31)22(34)17-4-1-2-5-18(17)23(25,26)27/h1-2,4-11H,3,12-14H2,(H,28,33)
InChIKeyBQUBCJZJBHLHPD-UHFFFAOYSA-N
XLogP4.71
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.89
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-chlorophenyl)-6-[3-[2-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]pyridazine-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

Related Compounds

N-ethyl-6-[3-[2-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]pyridazine-3-carboxamide
CID 69398781
N-[(4-fluorophenyl)methyl]-6-[3-[2-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]pyridazine-3-carboxamide
CID 143445194
N-(3-chlorophenyl)-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide
CID 66850011
N-(2,6-dichlorophenyl)-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide
CID 66849746
N-hydroxy-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide
CID 141143829
6-[3-[3-fluoro-2-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]-N-propylpyridazine-3-carboxamide
CID 69399538
N-(3-fluoro-2-methylphenyl)-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide
CID 25096737
N-[3-(aminomethyl)-2-chlorophenyl]-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide
CID 150820651
N-[4-chloro-3-(trifluoromethyl)phenyl]-6-piperidin-1-ylpyridazine-3-carboxamide
CID 109112603
N-(2,4-dimethylphenyl)-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide
CID 66850169
N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-2-(trifluoromethyl)benzamide
CID 41089339
N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(trifluoromethyl)benzamide
CID 41077882

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-6-[3-[2-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]pyridazine-3-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-6-[3-[2-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]pyridazine-3-carboxamide (CID 91181233) is N-(4-chlorophenyl)-6-[3-[2-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]pyridazine-3-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-6-[3-[2-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]pyridazine-3-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-6-[3-[2-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]pyridazine-3-carboxamide is O=C(Nc1ccc(Cl)cc1)c1ccc(N2CCCN(C(=O)c3ccccc3C(F)(F)F)C2)nn1.
What is the InChIKey of N-(4-chlorophenyl)-6-[3-[2-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]pyridazine-3-carboxamide?
The InChIKey is BQUBCJZJBHLHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClF3N5O2/c24-15-6-8-16(9-7-15)28-21(33)19-10-11-20(30-29-19)31-12-3-13-32(14-31)22(34)17-4-1-2-5-18(17)23(25,26)27/h1-2,4-11H,3,12-14H2,(H,28,33).
What are the key properties of N-(4-chlorophenyl)-6-[3-[2-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]pyridazine-3-carboxamide?
N-(4-chlorophenyl)-6-[3-[2-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]pyridazine-3-carboxamide has a molecular weight of 489.89 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-6-[3-[2-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]pyridazine-3-carboxamide is sourced from PubChem (CID 91181233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).