ethyl 2-(3-chloro-4-cyclopropyl-6,7-dihydro-5H-pyrido[2,3-c]pyridazin-8-yl)-1,3-thiazole-4-carboxylate

C16H17ClN4O2S — CID 155593645

IUPACethyl 2-(3-chloro-4-cyclopropyl-6,7-dihydro-5H-pyrido[2,3-c]pyridazin-8-yl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(N2CCCc3c2nnc(Cl)c3C2CC2)n1
InChIInChI=1S/C16H17ClN4O2S/c1-2-23-15(22)11-8-24-16(18-11)21-7-3-4-10-12(9-5-6-9)13(17)19-20-14(10)21/h8-9H,2-7H2,1H3
InChIKeyMQGCRZUFIGWKGF-UHFFFAOYSA-N
MW364.86 g/mol
LogP3.72
Rot. Bonds4

About ethyl 2-(3-chloro-4-cyclopropyl-6,7-dihydro-5H-pyrido[2,3-c]pyridazin-8-yl)-1,3-thiazole-4-carboxylate

ethyl 2-(3-chloro-4-cyclopropyl-6,7-dihydro-5H-pyrido[2,3-c]pyridazin-8-yl)-1,3-thiazole-4-carboxylate (PubChem CID 155593645) has the molecular formula C16H17ClN4O2S and a molecular weight of 364.86 g/mol. Its IUPAC name is ethyl 2-(3-chloro-4-cyclopropyl-6,7-dihydro-5H-pyrido[2,3-c]pyridazin-8-yl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(3-chloro-4-cyclopropyl-6,7-dihydro-5H-pyrido[2,3-c]pyridazin-8-yl)-1,3-thiazole-4-carboxylate
PubChem CID155593645
Molecular FormulaC16H17ClN4O2S
Molecular Weight364.86 g/mol
Exact Mass364.08
IUPAC Nameethyl 2-(3-chloro-4-cyclopropyl-6,7-dihydro-5H-pyrido[2,3-c]pyridazin-8-yl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(N2CCCc3c2nnc(Cl)c3C2CC2)n1
InChIInChI=1S/C16H17ClN4O2S/c1-2-23-15(22)11-8-24-16(18-11)21-7-3-4-10-12(9-5-6-9)13(17)19-20-14(10)21/h8-9H,2-7H2,1H3
InChIKeyMQGCRZUFIGWKGF-UHFFFAOYSA-N
XLogP3.72
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.86
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 2-(3-chloro-4-cyclopropyl-6,7-dihydro-5H-pyrido[2,3-c]pyridazin-8-yl)-1,3-thiazole-4-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-chloro-4-cyclopropyl-6,7-dihydro-5H-pyrido[2,3-c]pyridazin-8-yl)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-(3-chloro-4-cyclopropyl-6,7-dihydro-5H-pyrido[2,3-c]pyridazin-8-yl)-1,3-thiazole-4-carboxylate (CID 155593645) is ethyl 2-(3-chloro-4-cyclopropyl-6,7-dihydro-5H-pyrido[2,3-c]pyridazin-8-yl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(3-chloro-4-cyclopropyl-6,7-dihydro-5H-pyrido[2,3-c]pyridazin-8-yl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-(3-chloro-4-cyclopropyl-6,7-dihydro-5H-pyrido[2,3-c]pyridazin-8-yl)-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(N2CCCc3c2nnc(Cl)c3C2CC2)n1.
What is the InChIKey of ethyl 2-(3-chloro-4-cyclopropyl-6,7-dihydro-5H-pyrido[2,3-c]pyridazin-8-yl)-1,3-thiazole-4-carboxylate?
The InChIKey is MQGCRZUFIGWKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O2S/c1-2-23-15(22)11-8-24-16(18-11)21-7-3-4-10-12(9-5-6-9)13(17)19-20-14(10)21/h8-9H,2-7H2,1H3.
What are the key properties of ethyl 2-(3-chloro-4-cyclopropyl-6,7-dihydro-5H-pyrido[2,3-c]pyridazin-8-yl)-1,3-thiazole-4-carboxylate?
ethyl 2-(3-chloro-4-cyclopropyl-6,7-dihydro-5H-pyrido[2,3-c]pyridazin-8-yl)-1,3-thiazole-4-carboxylate has a molecular weight of 364.86 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-chloro-4-cyclopropyl-6,7-dihydro-5H-pyrido[2,3-c]pyridazin-8-yl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 155593645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).