N-[2-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide

C31H37FN6O5 — CID 46000562

IUPACN-[2-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide
SMILESCOc1ccc(-c2ccc(N3CCN(C(=O)CN(CCN4CCOCC4)C(=O)c4ccc(F)cc4)CC3)nn2)cc1OC
InChIInChI=1S/C31H37FN6O5/c1-41-27-9-5-24(21-28(27)42-2)26-8-10-29(34-33-26)36-13-15-37(16-14-36)30(39)22-38(12-11-35-17-19-43-20-18-35)31(40)23-3-6-25(32)7-4-23/h3-10,21H,11-20,22H2,1-2H3
InChIKeyZELKTWAOUMIMNV-UHFFFAOYSA-N
MW592.67 g/mol
LogP2.42
Rot. Bonds10

About N-[2-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide

N-[2-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 46000562) has the molecular formula C31H37FN6O5 and a molecular weight of 592.67 g/mol. Its IUPAC name is N-[2-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound NameN-[2-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID46000562
Molecular FormulaC31H37FN6O5
Molecular Weight592.67 g/mol
Exact Mass592.28
IUPAC NameN-[2-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide
SMILESCOc1ccc(-c2ccc(N3CCN(C(=O)CN(CCN4CCOCC4)C(=O)c4ccc(F)cc4)CC3)nn2)cc1OC
InChIInChI=1S/C31H37FN6O5/c1-41-27-9-5-24(21-28(27)42-2)26-8-10-29(34-33-26)36-13-15-37(16-14-36)30(39)22-38(12-11-35-17-19-43-20-18-35)31(40)23-3-6-25(32)7-4-23/h3-10,21H,11-20,22H2,1-2H3
InChIKeyZELKTWAOUMIMNV-UHFFFAOYSA-N
XLogP2.42
TPSA100.57 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500592.67
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze N-[2-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide 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-[2-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-4-fluoro-N-(furan-2-ylmethyl)benzamide
CID 46000590
N-[2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)acetamide
CID 46002565
N-[2-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-ethyl-4-methylbenzamide
CID 46000652
N-[2-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]benzamide
CID 42833338
N-[2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)propanamide
CID 46002572
N-[2-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
CID 46000685
4-fluoro-N-(2-methoxyethyl)-N-[2-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]benzamide
CID 42831842
N-[2-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-3-fluoro-N-(furan-2-ylmethyl)benzamide
CID 46000601
1-[2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl]-2-oxoethyl]-1-(2-morpholin-4-ylethyl)-3-propylurea
CID 83281834
2-chloro-N-[2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 46002569
N-ethyl-N-[2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-4-methoxybenzamide
CID 42833198
4-fluoro-N-[2-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-propylbenzamide
CID 46147705

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of N-[2-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide (CID 46000562) is N-[2-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for N-[2-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for N-[2-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide is COc1ccc(-c2ccc(N3CCN(C(=O)CN(CCN4CCOCC4)C(=O)c4ccc(F)cc4)CC3)nn2)cc1OC.
What is the InChIKey of N-[2-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is ZELKTWAOUMIMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37FN6O5/c1-41-27-9-5-24(21-28(27)42-2)26-8-10-29(34-33-26)36-13-15-37(16-14-36)30(39)22-38(12-11-35-17-19-43-20-18-35)31(40)23-3-6-25(32)7-4-23/h3-10,21H,11-20,22H2,1-2H3.
What are the key properties of N-[2-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide?
N-[2-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 592.67 g/mol, XLogP of 2.42, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 46000562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).