tert-butyl 4-(3-chloro-5-methylthieno[2,3-c]pyridazin-6-yl)piperidine-1-carboxylate

C17H22ClN3O2S — CID 166128086

IUPACtert-butyl 4-(3-chloro-5-methylthieno[2,3-c]pyridazin-6-yl)piperidine-1-carboxylate
SMILESCc1c(C2CCN(C(=O)OC(C)(C)C)CC2)sc2nnc(Cl)cc12
InChIInChI=1S/C17H22ClN3O2S/c1-10-12-9-13(18)19-20-15(12)24-14(10)11-5-7-21(8-6-11)16(22)23-17(2,3)4/h9,11H,5-8H2,1-4H3
InChIKeyVNZNVPRJABENFQ-UHFFFAOYSA-N
MW367.90 g/mol
LogP4.77
Rot. Bonds1

About tert-butyl 4-(3-chloro-5-methylthieno[2,3-c]pyridazin-6-yl)piperidine-1-carboxylate

tert-butyl 4-(3-chloro-5-methylthieno[2,3-c]pyridazin-6-yl)piperidine-1-carboxylate (PubChem CID 166128086) has the molecular formula C17H22ClN3O2S and a molecular weight of 367.90 g/mol. Its IUPAC name is tert-butyl 4-(3-chloro-5-methylthieno[2,3-c]pyridazin-6-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(3-chloro-5-methylthieno[2,3-c]pyridazin-6-yl)piperidine-1-carboxylate
PubChem CID166128086
Molecular FormulaC17H22ClN3O2S
Molecular Weight367.90 g/mol
Exact Mass367.11
IUPAC Nametert-butyl 4-(3-chloro-5-methylthieno[2,3-c]pyridazin-6-yl)piperidine-1-carboxylate
SMILESCc1c(C2CCN(C(=O)OC(C)(C)C)CC2)sc2nnc(Cl)cc12
InChIInChI=1S/C17H22ClN3O2S/c1-10-12-9-13(18)19-20-15(12)24-14(10)11-5-7-21(8-6-11)16(22)23-17(2,3)4/h9,11H,5-8H2,1-4H3
InChIKeyVNZNVPRJABENFQ-UHFFFAOYSA-N
XLogP4.77
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.90
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3-chloro-5-methylthieno[2,3-c]pyridazin-6-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(3-chloro-5-methylthieno[2,3-c]pyridazin-6-yl)piperidine-1-carboxylate (CID 166128086) is tert-butyl 4-(3-chloro-5-methylthieno[2,3-c]pyridazin-6-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(3-chloro-5-methylthieno[2,3-c]pyridazin-6-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(3-chloro-5-methylthieno[2,3-c]pyridazin-6-yl)piperidine-1-carboxylate is Cc1c(C2CCN(C(=O)OC(C)(C)C)CC2)sc2nnc(Cl)cc12.
What is the InChIKey of tert-butyl 4-(3-chloro-5-methylthieno[2,3-c]pyridazin-6-yl)piperidine-1-carboxylate?
The InChIKey is VNZNVPRJABENFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O2S/c1-10-12-9-13(18)19-20-15(12)24-14(10)11-5-7-21(8-6-11)16(22)23-17(2,3)4/h9,11H,5-8H2,1-4H3.
What are the key properties of tert-butyl 4-(3-chloro-5-methylthieno[2,3-c]pyridazin-6-yl)piperidine-1-carboxylate?
tert-butyl 4-(3-chloro-5-methylthieno[2,3-c]pyridazin-6-yl)piperidine-1-carboxylate has a molecular weight of 367.90 g/mol, XLogP of 4.77, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(3-chloro-5-methylthieno[2,3-c]pyridazin-6-yl)piperidine-1-carboxylate is sourced from PubChem (CID 166128086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).