5-amino-3-chloro-4-methyl-N-[1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide

C17H20ClN7O2S — CID 162664650

IUPAC5-amino-3-chloro-4-methyl-N-[1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide
SMILESCc1c(Cl)nnc2sc(C(=O)NC3CN(c4nnc(CC(C)C)o4)C3)c(N)c12
InChIInChI=1S/C17H20ClN7O2S/c1-7(2)4-10-21-24-17(27-10)25-5-9(6-25)20-15(26)13-12(19)11-8(3)14(18)22-23-16(11)28-13/h7,9H,4-6,19H2,1-3H3,(H,20,26)
InChIKeyUYWTUNWPZXNWKD-UHFFFAOYSA-N
MW421.91 g/mol
LogP2.44
Rot. Bonds5

About 5-amino-3-chloro-4-methyl-N-[1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide

5-amino-3-chloro-4-methyl-N-[1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide (PubChem CID 162664650) has the molecular formula C17H20ClN7O2S and a molecular weight of 421.91 g/mol. Its IUPAC name is 5-amino-3-chloro-4-methyl-N-[1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide.

Molecular Properties

Compound Name5-amino-3-chloro-4-methyl-N-[1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide
PubChem CID162664650
Molecular FormulaC17H20ClN7O2S
Molecular Weight421.91 g/mol
Exact Mass421.11
IUPAC Name5-amino-3-chloro-4-methyl-N-[1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide
SMILESCc1c(Cl)nnc2sc(C(=O)NC3CN(c4nnc(CC(C)C)o4)C3)c(N)c12
InChIInChI=1S/C17H20ClN7O2S/c1-7(2)4-10-21-24-17(27-10)25-5-9(6-25)20-15(26)13-12(19)11-8(3)14(18)22-23-16(11)28-13/h7,9H,4-6,19H2,1-3H3,(H,20,26)
InChIKeyUYWTUNWPZXNWKD-UHFFFAOYSA-N
XLogP2.44
TPSA123.06 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.91
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-4-methyl-N-[1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide?
The IUPAC name of 5-amino-3-chloro-4-methyl-N-[1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide (CID 162664650) is 5-amino-3-chloro-4-methyl-N-[1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide.
What is the SMILES notation for 5-amino-3-chloro-4-methyl-N-[1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide?
The canonical SMILES for 5-amino-3-chloro-4-methyl-N-[1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide is Cc1c(Cl)nnc2sc(C(=O)NC3CN(c4nnc(CC(C)C)o4)C3)c(N)c12.
What is the InChIKey of 5-amino-3-chloro-4-methyl-N-[1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide?
The InChIKey is UYWTUNWPZXNWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN7O2S/c1-7(2)4-10-21-24-17(27-10)25-5-9(6-25)20-15(26)13-12(19)11-8(3)14(18)22-23-16(11)28-13/h7,9H,4-6,19H2,1-3H3,(H,20,26).
What are the key properties of 5-amino-3-chloro-4-methyl-N-[1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide?
5-amino-3-chloro-4-methyl-N-[1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide has a molecular weight of 421.91 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-chloro-4-methyl-N-[1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide is sourced from PubChem (CID 162664650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).