5-amino-3,4-dimethyl-N-[1-(5-methylpyrimidin-2-yl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide

C17H19N7OS — CID 122691516

IUPAC5-amino-3,4-dimethyl-N-[1-(5-methylpyrimidin-2-yl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide
SMILESCc1cnc(N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)nc1
InChIInChI=1S/C17H19N7OS/c1-8-4-19-17(20-5-8)24-6-11(7-24)21-15(25)14-13(18)12-9(2)10(3)22-23-16(12)26-14/h4-5,11H,6-7,18H2,1-3H3,(H,21,25)
InChIKeyFGNYKETUBSYRMO-UHFFFAOYSA-N
MW369.45 g/mol
LogP1.61
Rot. Bonds3

About 5-amino-3,4-dimethyl-N-[1-(5-methylpyrimidin-2-yl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide

5-amino-3,4-dimethyl-N-[1-(5-methylpyrimidin-2-yl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide (PubChem CID 122691516) has the molecular formula C17H19N7OS and a molecular weight of 369.45 g/mol. Its IUPAC name is 5-amino-3,4-dimethyl-N-[1-(5-methylpyrimidin-2-yl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide.

Molecular Properties

Compound Name5-amino-3,4-dimethyl-N-[1-(5-methylpyrimidin-2-yl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide
PubChem CID122691516
Molecular FormulaC17H19N7OS
Molecular Weight369.45 g/mol
Exact Mass369.14
IUPAC Name5-amino-3,4-dimethyl-N-[1-(5-methylpyrimidin-2-yl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide
SMILESCc1cnc(N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)nc1
InChIInChI=1S/C17H19N7OS/c1-8-4-19-17(20-5-8)24-6-11(7-24)21-15(25)14-13(18)12-9(2)10(3)22-23-16(12)26-14/h4-5,11H,6-7,18H2,1-3H3,(H,21,25)
InChIKeyFGNYKETUBSYRMO-UHFFFAOYSA-N
XLogP1.61
TPSA109.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

5-amino-4-methyl-3-propan-2-yl-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide
CID 162667175
5-amino-N-[1-[4-(1,1-difluoroethoxy)phenyl]pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
CID 122691440
5-amino-N-[1-[(2,4-difluorophenyl)-hydroxymethyl]azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
CID 134502824
5-amino-N-[1-[2-(1,1-difluoroethoxy)phenyl]pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
CID 122691445
5-amino-N-[1-(2-fluoro-4-methylbenzoyl)pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
CID 122691556
5-amino-N',N',3,4-tetramethylthieno[2,3-c]pyridazine-6-carbohydrazide
CID 83025023
N-cyclobutyl-3,4,5-trimethylthieno[2,3-c]pyridazine-6-carboxamide
CID 122414298
5-amino-N-(5-hydroxypentyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
CID 107323862
5-amino-N-cyclopropyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(cyclopropylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-cyclopropylthieno[2,3-c]pyridazine-6-carboxamide
CID 160823722
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
(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-[(4-fluorophenyl)methylamino]azetidin-1-yl]methanone
CID 71735834
5-amino-N-(3-hydroxy-2,2-dimethylpropyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
CID 115366292

Frequently Asked Questions

What is the IUPAC name of 5-amino-3,4-dimethyl-N-[1-(5-methylpyrimidin-2-yl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide?
The IUPAC name of 5-amino-3,4-dimethyl-N-[1-(5-methylpyrimidin-2-yl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide (CID 122691516) is 5-amino-3,4-dimethyl-N-[1-(5-methylpyrimidin-2-yl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide.
What is the SMILES notation for 5-amino-3,4-dimethyl-N-[1-(5-methylpyrimidin-2-yl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide?
The canonical SMILES for 5-amino-3,4-dimethyl-N-[1-(5-methylpyrimidin-2-yl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide is Cc1cnc(N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)nc1.
What is the InChIKey of 5-amino-3,4-dimethyl-N-[1-(5-methylpyrimidin-2-yl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide?
The InChIKey is FGNYKETUBSYRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7OS/c1-8-4-19-17(20-5-8)24-6-11(7-24)21-15(25)14-13(18)12-9(2)10(3)22-23-16(12)26-14/h4-5,11H,6-7,18H2,1-3H3,(H,21,25).
What are the key properties of 5-amino-3,4-dimethyl-N-[1-(5-methylpyrimidin-2-yl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide?
5-amino-3,4-dimethyl-N-[1-(5-methylpyrimidin-2-yl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide has a molecular weight of 369.45 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3,4-dimethyl-N-[1-(5-methylpyrimidin-2-yl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide is sourced from PubChem (CID 122691516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).