tert-butyl 6-(3-chloro-5-methylthieno[2,3-c]pyridazin-6-yl)-2,6-diazaspiro[3.3]heptane-2-carboxylate

C17H21ClN4O2S — CID 170350147

IUPACtert-butyl 6-(3-chloro-5-methylthieno[2,3-c]pyridazin-6-yl)-2,6-diazaspiro[3.3]heptane-2-carboxylate
SMILESCc1c(N2CC3(CN(C(=O)OC(C)(C)C)C3)C2)sc2nnc(Cl)cc12
InChIInChI=1S/C17H21ClN4O2S/c1-10-11-5-12(18)19-20-13(11)25-14(10)21-6-17(7-21)8-22(9-17)15(23)24-16(2,3)4/h5H,6-9H2,1-4H3
InChIKeyZUHCDLDKADARRD-UHFFFAOYSA-N
MW380.90 g/mol
LogP3.71
Rot. Bonds1

About tert-butyl 6-(3-chloro-5-methylthieno[2,3-c]pyridazin-6-yl)-2,6-diazaspiro[3.3]heptane-2-carboxylate

tert-butyl 6-(3-chloro-5-methylthieno[2,3-c]pyridazin-6-yl)-2,6-diazaspiro[3.3]heptane-2-carboxylate (PubChem CID 170350147) has the molecular formula C17H21ClN4O2S and a molecular weight of 380.90 g/mol. Its IUPAC name is tert-butyl 6-(3-chloro-5-methylthieno[2,3-c]pyridazin-6-yl)-2,6-diazaspiro[3.3]heptane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-(3-chloro-5-methylthieno[2,3-c]pyridazin-6-yl)-2,6-diazaspiro[3.3]heptane-2-carboxylate
PubChem CID170350147
Molecular FormulaC17H21ClN4O2S
Molecular Weight380.90 g/mol
Exact Mass380.11
IUPAC Nametert-butyl 6-(3-chloro-5-methylthieno[2,3-c]pyridazin-6-yl)-2,6-diazaspiro[3.3]heptane-2-carboxylate
SMILESCc1c(N2CC3(CN(C(=O)OC(C)(C)C)C3)C2)sc2nnc(Cl)cc12
InChIInChI=1S/C17H21ClN4O2S/c1-10-11-5-12(18)19-20-13(11)25-14(10)21-6-17(7-21)8-22(9-17)15(23)24-16(2,3)4/h5H,6-9H2,1-4H3
InChIKeyZUHCDLDKADARRD-UHFFFAOYSA-N
XLogP3.71
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.90
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl 6-(3-chloro-5-methylthieno[2,3-c]pyridazin-6-yl)-2,6-diazaspiro[3.3]heptane-2-carboxylate 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

tert-butyl 7-(3-amino-6-chloropyridazin-4-yl)-2,7-diazaspiro[3.5]nonane-2-carboxylate
CID 168901631
tert-butyl 6-pyrazin-2-yl-2,6-diazaspiro[3.3]heptane-2-carboxylate
CID 132850081
tert-butyl 6-(4-chloro-2-fluorophenyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate
CID 156503410
tert-butyl 6-(3-chloro-4-fluorophenyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate
CID 168920700
tert-butyl 6-(4-methyl-2-pyridinyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate
CID 175704989
tert-butyl 6-(4-chloro-3-fluorophenyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate
CID 142586786
tert-butyl 6-(6-fluoro-3-pyridinyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate
CID 70822327
tert-butyl 2-[(6-chloro-2-methyl-3-pyridinyl)sulfanyl]-2,6-diazaspiro[3.3]heptane-6-carboxylate
CID 176919888
tert-butyl 7-(4-chloro-2-methylsulfonylphenyl)-2,7-diazaspiro[3.5]nonane-2-carboxylate
CID 169105284
tert-butyl 6-methyl-2,6-diazaspiro[3.3]heptane-2-carboxylate;ethane
CID 144686266
tert-butyl 8-(3-amino-6-chloropyridazin-4-yl)-5-oxa-2,8-diazaspiro[3.5]nonane-2-carboxylate
CID 168901287
tert-butyl 6-[6-[(6-chloro-2-methyl-3-oxopyridazin-4-yl)amino]-3-pyridinyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate
CID 66742401

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-(3-chloro-5-methylthieno[2,3-c]pyridazin-6-yl)-2,6-diazaspiro[3.3]heptane-2-carboxylate?
The IUPAC name of tert-butyl 6-(3-chloro-5-methylthieno[2,3-c]pyridazin-6-yl)-2,6-diazaspiro[3.3]heptane-2-carboxylate (CID 170350147) is tert-butyl 6-(3-chloro-5-methylthieno[2,3-c]pyridazin-6-yl)-2,6-diazaspiro[3.3]heptane-2-carboxylate.
What is the SMILES notation for tert-butyl 6-(3-chloro-5-methylthieno[2,3-c]pyridazin-6-yl)-2,6-diazaspiro[3.3]heptane-2-carboxylate?
The canonical SMILES for tert-butyl 6-(3-chloro-5-methylthieno[2,3-c]pyridazin-6-yl)-2,6-diazaspiro[3.3]heptane-2-carboxylate is Cc1c(N2CC3(CN(C(=O)OC(C)(C)C)C3)C2)sc2nnc(Cl)cc12.
What is the InChIKey of tert-butyl 6-(3-chloro-5-methylthieno[2,3-c]pyridazin-6-yl)-2,6-diazaspiro[3.3]heptane-2-carboxylate?
The InChIKey is ZUHCDLDKADARRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O2S/c1-10-11-5-12(18)19-20-13(11)25-14(10)21-6-17(7-21)8-22(9-17)15(23)24-16(2,3)4/h5H,6-9H2,1-4H3.
What are the key properties of tert-butyl 6-(3-chloro-5-methylthieno[2,3-c]pyridazin-6-yl)-2,6-diazaspiro[3.3]heptane-2-carboxylate?
tert-butyl 6-(3-chloro-5-methylthieno[2,3-c]pyridazin-6-yl)-2,6-diazaspiro[3.3]heptane-2-carboxylate has a molecular weight of 380.90 g/mol, XLogP of 3.71, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-(3-chloro-5-methylthieno[2,3-c]pyridazin-6-yl)-2,6-diazaspiro[3.3]heptane-2-carboxylate is sourced from PubChem (CID 170350147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).