N-[2-[4-[6-(2-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide

C26H24ClN5O3S — CID 46001832

IUPACN-[2-[4-[6-(2-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide
SMILESO=C(CN(Cc1ccco1)C(=O)c1cccs1)N1CCN(c2ccc(-c3ccccc3Cl)nn2)CC1
InChIInChI=1S/C26H24ClN5O3S/c27-21-7-2-1-6-20(21)22-9-10-24(29-28-22)30-11-13-31(14-12-30)25(33)18-32(17-19-5-3-15-35-19)26(34)23-8-4-16-36-23/h1-10,15-16H,11-14,17-18H2
InChIKeyJNAYIACSBXVDPI-UHFFFAOYSA-N
MW522.03 g/mol
LogP4.44
Rot. Bonds7

About N-[2-[4-[6-(2-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide

N-[2-[4-[6-(2-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide (PubChem CID 46001832) has the molecular formula C26H24ClN5O3S and a molecular weight of 522.03 g/mol. Its IUPAC name is N-[2-[4-[6-(2-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[6-(2-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide
PubChem CID46001832
Molecular FormulaC26H24ClN5O3S
Molecular Weight522.03 g/mol
Exact Mass521.13
IUPAC NameN-[2-[4-[6-(2-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide
SMILESO=C(CN(Cc1ccco1)C(=O)c1cccs1)N1CCN(c2ccc(-c3ccccc3Cl)nn2)CC1
InChIInChI=1S/C26H24ClN5O3S/c27-21-7-2-1-6-20(21)22-9-10-24(29-28-22)30-11-13-31(14-12-30)25(33)18-32(17-19-5-3-15-35-19)26(34)23-8-4-16-36-23/h1-10,15-16H,11-14,17-18H2
InChIKeyJNAYIACSBXVDPI-UHFFFAOYSA-N
XLogP4.44
TPSA82.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.03
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[2-[4-[6-(2-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)thiophene-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

Related Compounds

US9687479, 63 3-(1-benzoyl-5-[(5-chlorothiophen-2-yl)methyl]amino-1H-pyrazol-3-yl)-1-(furan-2-ylmethyl)-1,2-dihydropyridin-2-one
CID 133081150
US9687479, 209 3-(5-[(5-chlorothiophen-2-yl)methyl]amino-1-[4-(morpholin-4-yl)phenyl]carbonyl-1H-pyrazol-3-yl)-1-(furan-2-ylmethyl)-1,2-dihydropyridin-2-one
CID 133081294
N-(6-((2-((2-chlorobenzyl)amino)-2-oxoethyl)thio)pyridazin-3-yl)furan-2-carboxamide
CID 42139414
(4-(6-(Furan-2-yl)pyridazin-3-yl)piperazin-1-yl)(thiophen-2-yl)methanone
CID 18569363
(4-(6-(4-Ethoxyphenyl)pyridazin-3-yl)piperazin-1-yl)(thiophen-2-yl)methanone
CID 25836483
N-(6-((4-((2-chlorobenzyl)amino)-4-oxobutyl)thio)pyridazin-3-yl)furan-2-carboxamide
CID 42173880
N-(furan-2-ylmethyl)-1-(6-(thiophen-2-yl)pyridazin-3-yl)piperidine-3-carboxamide
CID 44059808
Furan-2-yl(4-(6-(thiophen-2-yl)pyridazin-3-yl)piperazin-1-yl)methanone
CID 18569378
5-[5-[(5-Chlorothiophen-2-yl)methylamino]-1-(2-fluorobenzoyl)pyrazol-3-yl]-1-(furan-2-ylmethyl)-4-morpholin-4-ylpyridin-2-one
CID 130422962
2-(2-Chloro-6-fluorophenyl)-1-(4-(6-(furan-2-yl)pyridazin-3-yl)piperazin-1-yl)ethanone
CID 25817191
N-[2-[4-[6-(2-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-4-fluoro-N-(furan-2-ylmethyl)benzamide
CID 42834107
N-[2-[4-[6-(2-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-3-fluoro-N-(furan-2-ylmethyl)benzamide
CID 42834116

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[6-(2-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of N-[2-[4-[6-(2-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide (CID 46001832) is N-[2-[4-[6-(2-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[4-[6-(2-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for N-[2-[4-[6-(2-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide is O=C(CN(Cc1ccco1)C(=O)c1cccs1)N1CCN(c2ccc(-c3ccccc3Cl)nn2)CC1.
What is the InChIKey of N-[2-[4-[6-(2-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide?
The InChIKey is JNAYIACSBXVDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN5O3S/c27-21-7-2-1-6-20(21)22-9-10-24(29-28-22)30-11-13-31(14-12-30)25(33)18-32(17-19-5-3-15-35-19)26(34)23-8-4-16-36-23/h1-10,15-16H,11-14,17-18H2.
What are the key properties of N-[2-[4-[6-(2-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide?
N-[2-[4-[6-(2-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide has a molecular weight of 522.03 g/mol, XLogP of 4.44, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[6-(2-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 46001832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).