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

C19H20F3N7OS — CID 162667175

IUPAC5-amino-4-methyl-3-propan-2-yl-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide
SMILESCc1c(C(C)C)nnc2sc(C(=O)NC3CN(c4ncc(C(F)(F)F)cn4)C3)c(N)c12
InChIInChI=1S/C19H20F3N7OS/c1-8(2)14-9(3)12-13(23)15(31-17(12)28-27-14)16(30)26-11-6-29(7-11)18-24-4-10(5-25-18)19(20,21)22/h4-5,8,11H,6-7,23H2,1-3H3,(H,26,30)
InChIKeyXYYIKXAMUKBPEK-UHFFFAOYSA-N
MW451.48 g/mol
LogP3.13
Rot. Bonds4

About 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

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 (PubChem CID 162667175) has the molecular formula C19H20F3N7OS and a molecular weight of 451.48 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-amino-4-methyl-3-propan-2-yl-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide
PubChem CID162667175
Molecular FormulaC19H20F3N7OS
Molecular Weight451.48 g/mol
Exact Mass451.14
IUPAC Name5-amino-4-methyl-3-propan-2-yl-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide
SMILESCc1c(C(C)C)nnc2sc(C(=O)NC3CN(c4ncc(C(F)(F)F)cn4)C3)c(N)c12
InChIInChI=1S/C19H20F3N7OS/c1-8(2)14-9(3)12-13(23)15(31-17(12)28-27-14)16(30)26-11-6-29(7-11)18-24-4-10(5-25-18)19(20,21)22/h4-5,8,11H,6-7,23H2,1-3H3,(H,26,30)
InChIKeyXYYIKXAMUKBPEK-UHFFFAOYSA-N
XLogP3.13
TPSA109.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.48
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1c(C(C)C)nnc2sc(C(=O)NC3CN(c4ncc(C(F)(F)F)cn4)C3)c(N)c12.
What is the InChIKey of 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?
The InChIKey is XYYIKXAMUKBPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N7OS/c1-8(2)14-9(3)12-13(23)15(31-17(12)28-27-14)16(30)26-11-6-29(7-11)18-24-4-10(5-25-18)19(20,21)22/h4-5,8,11H,6-7,23H2,1-3H3,(H,26,30).
What are the key properties of 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?
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 has a molecular weight of 451.48 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162667175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).