4-bromo-5-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethylamino]-2-methylpyridazin-3-one

C14H17BrN4OS — CID 133303744

IUPAC4-bromo-5-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethylamino]-2-methylpyridazin-3-one
SMILESCn1ncc(NCCN2CCc3sccc3C2)c(Br)c1=O
InChIInChI=1S/C14H17BrN4OS/c1-18-14(20)13(15)11(8-17-18)16-4-6-19-5-2-12-10(9-19)3-7-21-12/h3,7-8,16H,2,4-6,9H2,1H3
InChIKeyCSRSJFTUCAMDCE-UHFFFAOYSA-N
MW369.29 g/mol
LogP2.07
Rot. Bonds4

About 4-bromo-5-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethylamino]-2-methylpyridazin-3-one

4-bromo-5-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethylamino]-2-methylpyridazin-3-one (PubChem CID 133303744) has the molecular formula C14H17BrN4OS and a molecular weight of 369.29 g/mol. Its IUPAC name is 4-bromo-5-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethylamino]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-bromo-5-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethylamino]-2-methylpyridazin-3-one
PubChem CID133303744
Molecular FormulaC14H17BrN4OS
Molecular Weight369.29 g/mol
Exact Mass368.03
IUPAC Name4-bromo-5-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethylamino]-2-methylpyridazin-3-one
SMILESCn1ncc(NCCN2CCc3sccc3C2)c(Br)c1=O
InChIInChI=1S/C14H17BrN4OS/c1-18-14(20)13(15)11(8-17-18)16-4-6-19-5-2-12-10(9-19)3-7-21-12/h3,7-8,16H,2,4-6,9H2,1H3
InChIKeyCSRSJFTUCAMDCE-UHFFFAOYSA-N
XLogP2.07
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.29
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-bromo-5-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethylamino]-2-methylpyridazin-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

5-[2-(azepan-1-yl)ethylamino]-4-bromo-2-methylpyridazin-3-one
CID 115624040
4-bromo-5-[2-(4-methylpiperazin-1-yl)ethylamino]-2-propan-2-ylpyridazin-3-one
CID 114434164
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]acetamide
CID 47139831
4-bromo-5-[2-(cycloheptylamino)ethylamino]-2-methylpyridazin-3-one
CID 114446788
4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethylamino]-3-methylsulfonylbenzenesulfonamide
CID 56578616
5-(2,2-dimethylpropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 176622093
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-ethylpropan-1-amine
CID 61386149
5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-methylpentan-1-amine
CID 62437630
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110918076
4-bromo-2-methyl-5-[2-(quinolin-2-ylamino)ethylamino]pyridazin-3-one
CID 133303797
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4,4-dimethyl-N-propylpentan-3-amine
CID 62622978
4-bromo-5-(2-piperidin-1-ylethylamino)-2-propylpyridazin-3-one
CID 114436057

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethylamino]-2-methylpyridazin-3-one?
The IUPAC name of 4-bromo-5-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethylamino]-2-methylpyridazin-3-one (CID 133303744) is 4-bromo-5-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethylamino]-2-methylpyridazin-3-one.
What is the SMILES notation for 4-bromo-5-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethylamino]-2-methylpyridazin-3-one?
The canonical SMILES for 4-bromo-5-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethylamino]-2-methylpyridazin-3-one is Cn1ncc(NCCN2CCc3sccc3C2)c(Br)c1=O.
What is the InChIKey of 4-bromo-5-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethylamino]-2-methylpyridazin-3-one?
The InChIKey is CSRSJFTUCAMDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4OS/c1-18-14(20)13(15)11(8-17-18)16-4-6-19-5-2-12-10(9-19)3-7-21-12/h3,7-8,16H,2,4-6,9H2,1H3.
What are the key properties of 4-bromo-5-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethylamino]-2-methylpyridazin-3-one?
4-bromo-5-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethylamino]-2-methylpyridazin-3-one has a molecular weight of 369.29 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethylamino]-2-methylpyridazin-3-one is sourced from PubChem (CID 133303744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).