5-amino-3-[(dimethylamino)methyl]-4-methyl-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide

C19H21F3N8OS — CID 162665002

IUPAC5-amino-3-[(dimethylamino)methyl]-4-methyl-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide
SMILESCc1c(CN(C)C)nnc2sc(C(=O)NC3CN(c4ncc(C(F)(F)F)cn4)C3)c(N)c12
InChIInChI=1S/C19H21F3N8OS/c1-9-12(8-29(2)3)27-28-17-13(9)14(23)15(32-17)16(31)26-11-6-30(7-11)18-24-4-10(5-25-18)19(20,21)22/h4-5,11H,6-8,23H2,1-3H3,(H,26,31)
InChIKeyFNPXECADGODAPC-UHFFFAOYSA-N
MW466.49 g/mol
LogP2.07
Rot. Bonds5

About 5-amino-3-[(dimethylamino)methyl]-4-methyl-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide

5-amino-3-[(dimethylamino)methyl]-4-methyl-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide (PubChem CID 162665002) has the molecular formula C19H21F3N8OS and a molecular weight of 466.49 g/mol. Its IUPAC name is 5-amino-3-[(dimethylamino)methyl]-4-methyl-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide.

Molecular Properties

Compound Name5-amino-3-[(dimethylamino)methyl]-4-methyl-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide
PubChem CID162665002
Molecular FormulaC19H21F3N8OS
Molecular Weight466.49 g/mol
Exact Mass466.15
IUPAC Name5-amino-3-[(dimethylamino)methyl]-4-methyl-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide
SMILESCc1c(CN(C)C)nnc2sc(C(=O)NC3CN(c4ncc(C(F)(F)F)cn4)C3)c(N)c12
InChIInChI=1S/C19H21F3N8OS/c1-9-12(8-29(2)3)27-28-17-13(9)14(23)15(32-17)16(31)26-11-6-30(7-11)18-24-4-10(5-25-18)19(20,21)22/h4-5,11H,6-8,23H2,1-3H3,(H,26,31)
InChIKeyFNPXECADGODAPC-UHFFFAOYSA-N
XLogP2.07
TPSA113.16 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.49
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[(dimethylamino)methyl]-4-methyl-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide?
The IUPAC name of 5-amino-3-[(dimethylamino)methyl]-4-methyl-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide (CID 162665002) is 5-amino-3-[(dimethylamino)methyl]-4-methyl-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-3-[(dimethylamino)methyl]-4-methyl-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide?
The canonical SMILES for 5-amino-3-[(dimethylamino)methyl]-4-methyl-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide is Cc1c(CN(C)C)nnc2sc(C(=O)NC3CN(c4ncc(C(F)(F)F)cn4)C3)c(N)c12.
What is the InChIKey of 5-amino-3-[(dimethylamino)methyl]-4-methyl-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide?
The InChIKey is FNPXECADGODAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N8OS/c1-9-12(8-29(2)3)27-28-17-13(9)14(23)15(32-17)16(31)26-11-6-30(7-11)18-24-4-10(5-25-18)19(20,21)22/h4-5,11H,6-8,23H2,1-3H3,(H,26,31).
What are the key properties of 5-amino-3-[(dimethylamino)methyl]-4-methyl-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide?
5-amino-3-[(dimethylamino)methyl]-4-methyl-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide has a molecular weight of 466.49 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[(dimethylamino)methyl]-4-methyl-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide is sourced from PubChem (CID 162665002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).