2-tert-butyl-4-chloro-5-[2-(1H-indol-3-yl)ethylamino]pyridazin-3-one

C18H21ClN4O — CID 47807847

IUPAC2-tert-butyl-4-chloro-5-[2-(1H-indol-3-yl)ethylamino]pyridazin-3-one
SMILESCC(C)(C)n1ncc(NCCc2c[nH]c3ccccc23)c(Cl)c1=O
InChIInChI=1S/C18H21ClN4O/c1-18(2,3)23-17(24)16(19)15(11-22-23)20-9-8-12-10-21-14-7-5-4-6-13(12)14/h4-7,10-11,20-21H,8-9H2,1-3H3
InChIKeyZRFHMTBWTIJSRE-UHFFFAOYSA-N
MW344.85 g/mol
LogP3.79
Rot. Bonds4

About 2-tert-butyl-4-chloro-5-[2-(1H-indol-3-yl)ethylamino]pyridazin-3-one

2-tert-butyl-4-chloro-5-[2-(1H-indol-3-yl)ethylamino]pyridazin-3-one (PubChem CID 47807847) has the molecular formula C18H21ClN4O and a molecular weight of 344.85 g/mol. Its IUPAC name is 2-tert-butyl-4-chloro-5-[2-(1H-indol-3-yl)ethylamino]pyridazin-3-one.

Molecular Properties

Compound Name2-tert-butyl-4-chloro-5-[2-(1H-indol-3-yl)ethylamino]pyridazin-3-one
PubChem CID47807847
Molecular FormulaC18H21ClN4O
Molecular Weight344.85 g/mol
Exact Mass344.14
IUPAC Name2-tert-butyl-4-chloro-5-[2-(1H-indol-3-yl)ethylamino]pyridazin-3-one
SMILESCC(C)(C)n1ncc(NCCc2c[nH]c3ccccc23)c(Cl)c1=O
InChIInChI=1S/C18H21ClN4O/c1-18(2,3)23-17(24)16(19)15(11-22-23)20-9-8-12-10-21-14-7-5-4-6-13(12)14/h4-7,10-11,20-21H,8-9H2,1-3H3
InChIKeyZRFHMTBWTIJSRE-UHFFFAOYSA-N
XLogP3.79
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.85
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-tert-butyl-4-chloro-5-[2-(1H-indol-3-yl)ethylamino]pyridazin-3-one 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

1-tert-butyl-6-[2-(1H-indol-3-yl)ethylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137264546
2-chloro-N-[2-(1H-indol-3-yl)ethyl]aniline
CID 171397349
N-[2-(1H-indol-3-yl)ethyl]-1H-indol-3-amine
CID 91539379
6-chloro-N-[2-(1H-indol-3-yl)ethyl]quinolin-4-amine
CID 110433242
CID 176716293
CID 176716293
N-[2-(1H-indol-3-yl)ethyl]-1H-pyrrol-2-amine
CID 164562122
1-(1-tert-butyltetrazol-5-yl)-N-[2-(1H-indol-3-yl)ethyl]butan-1-amine
CID 102124658
N-[2-(1H-indol-3-yl)ethyl]-2H-triazol-4-amine
CID 54260739
2-(1H-indol-3-yl)-N-(trifluoromethyl)ethanamine
CID 54050405
2-chloro-N-[2-(1H-indol-3-yl)ethyl]-5,6-dimethylpyrimidin-4-amine
CID 82460644
N-[2-(1H-indol-3-yl)ethyl]-1H-benzimidazol-2-amine
CID 30033461
2-chloro-N-[2-(1H-indol-3-yl)ethyl]quinazolin-4-amine
CID 22692794

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-chloro-5-[2-(1H-indol-3-yl)ethylamino]pyridazin-3-one?
The IUPAC name of 2-tert-butyl-4-chloro-5-[2-(1H-indol-3-yl)ethylamino]pyridazin-3-one (CID 47807847) is 2-tert-butyl-4-chloro-5-[2-(1H-indol-3-yl)ethylamino]pyridazin-3-one.
What is the SMILES notation for 2-tert-butyl-4-chloro-5-[2-(1H-indol-3-yl)ethylamino]pyridazin-3-one?
The canonical SMILES for 2-tert-butyl-4-chloro-5-[2-(1H-indol-3-yl)ethylamino]pyridazin-3-one is CC(C)(C)n1ncc(NCCc2c[nH]c3ccccc23)c(Cl)c1=O.
What is the InChIKey of 2-tert-butyl-4-chloro-5-[2-(1H-indol-3-yl)ethylamino]pyridazin-3-one?
The InChIKey is ZRFHMTBWTIJSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O/c1-18(2,3)23-17(24)16(19)15(11-22-23)20-9-8-12-10-21-14-7-5-4-6-13(12)14/h4-7,10-11,20-21H,8-9H2,1-3H3.
What are the key properties of 2-tert-butyl-4-chloro-5-[2-(1H-indol-3-yl)ethylamino]pyridazin-3-one?
2-tert-butyl-4-chloro-5-[2-(1H-indol-3-yl)ethylamino]pyridazin-3-one has a molecular weight of 344.85 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-chloro-5-[2-(1H-indol-3-yl)ethylamino]pyridazin-3-one is sourced from PubChem (CID 47807847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).