N-[6-[8-(difluoromethyl)-2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl]-8-fluoroimidazo[1,2-a]pyridin-2-yl]-1-ethylazetidine-3-carboxamide

C20H19F3N8O — CID 170594058

IUPACN-[6-[8-(difluoromethyl)-2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl]-8-fluoroimidazo[1,2-a]pyridin-2-yl]-1-ethylazetidine-3-carboxamide
SMILESCCN1CC(C(=O)Nc2cn3cc(-c4cc(C(F)F)c5nc(C)nn5n4)cc(F)c3n2)C1
InChIInChI=1S/C20H19F3N8O/c1-3-29-6-12(7-29)20(32)26-16-9-30-8-11(4-14(21)19(30)25-16)15-5-13(17(22)23)18-24-10(2)27-31(18)28-15/h4-5,8-9,12,17H,3,6-7H2,1-2H3,(H,26,32)
InChIKeyGKINMSDVTJWFSQ-UHFFFAOYSA-N
MW444.42 g/mol
LogP2.71
Rot. Bonds5

About N-[6-[8-(difluoromethyl)-2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl]-8-fluoroimidazo[1,2-a]pyridin-2-yl]-1-ethylazetidine-3-carboxamide

N-[6-[8-(difluoromethyl)-2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl]-8-fluoroimidazo[1,2-a]pyridin-2-yl]-1-ethylazetidine-3-carboxamide (PubChem CID 170594058) has the molecular formula C20H19F3N8O and a molecular weight of 444.42 g/mol. Its IUPAC name is N-[6-[8-(difluoromethyl)-2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl]-8-fluoroimidazo[1,2-a]pyridin-2-yl]-1-ethylazetidine-3-carboxamide.

Molecular Properties

Compound NameN-[6-[8-(difluoromethyl)-2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl]-8-fluoroimidazo[1,2-a]pyridin-2-yl]-1-ethylazetidine-3-carboxamide
PubChem CID170594058
Molecular FormulaC20H19F3N8O
Molecular Weight444.42 g/mol
Exact Mass444.16
IUPAC NameN-[6-[8-(difluoromethyl)-2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl]-8-fluoroimidazo[1,2-a]pyridin-2-yl]-1-ethylazetidine-3-carboxamide
SMILESCCN1CC(C(=O)Nc2cn3cc(-c4cc(C(F)F)c5nc(C)nn5n4)cc(F)c3n2)C1
InChIInChI=1S/C20H19F3N8O/c1-3-29-6-12(7-29)20(32)26-16-9-30-8-11(4-14(21)19(30)25-16)15-5-13(17(22)23)18-24-10(2)27-31(18)28-15/h4-5,8-9,12,17H,3,6-7H2,1-2H3,(H,26,32)
InChIKeyGKINMSDVTJWFSQ-UHFFFAOYSA-N
XLogP2.71
TPSA92.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.42
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[6-[8-(difluoromethyl)-2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl]-8-fluoroimidazo[1,2-a]pyridin-2-yl]-1-ethylazetidine-3-carboxamide?
The IUPAC name of N-[6-[8-(difluoromethyl)-2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl]-8-fluoroimidazo[1,2-a]pyridin-2-yl]-1-ethylazetidine-3-carboxamide (CID 170594058) is N-[6-[8-(difluoromethyl)-2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl]-8-fluoroimidazo[1,2-a]pyridin-2-yl]-1-ethylazetidine-3-carboxamide.
What is the SMILES notation for N-[6-[8-(difluoromethyl)-2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl]-8-fluoroimidazo[1,2-a]pyridin-2-yl]-1-ethylazetidine-3-carboxamide?
The canonical SMILES for N-[6-[8-(difluoromethyl)-2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl]-8-fluoroimidazo[1,2-a]pyridin-2-yl]-1-ethylazetidine-3-carboxamide is CCN1CC(C(=O)Nc2cn3cc(-c4cc(C(F)F)c5nc(C)nn5n4)cc(F)c3n2)C1.
What is the InChIKey of N-[6-[8-(difluoromethyl)-2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl]-8-fluoroimidazo[1,2-a]pyridin-2-yl]-1-ethylazetidine-3-carboxamide?
The InChIKey is GKINMSDVTJWFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N8O/c1-3-29-6-12(7-29)20(32)26-16-9-30-8-11(4-14(21)19(30)25-16)15-5-13(17(22)23)18-24-10(2)27-31(18)28-15/h4-5,8-9,12,17H,3,6-7H2,1-2H3,(H,26,32).
What are the key properties of N-[6-[8-(difluoromethyl)-2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl]-8-fluoroimidazo[1,2-a]pyridin-2-yl]-1-ethylazetidine-3-carboxamide?
N-[6-[8-(difluoromethyl)-2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl]-8-fluoroimidazo[1,2-a]pyridin-2-yl]-1-ethylazetidine-3-carboxamide has a molecular weight of 444.42 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[8-(difluoromethyl)-2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl]-8-fluoroimidazo[1,2-a]pyridin-2-yl]-1-ethylazetidine-3-carboxamide is sourced from PubChem (CID 170594058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).