4-(difluoromethoxy)-N-[(2-ethylpyrazolo[1,5-b]pyridazin-3-yl)methyl]-3-fluorobenzamide

C17H15F3N4O2 — CID 139532931

IUPAC4-(difluoromethoxy)-N-[(2-ethylpyrazolo[1,5-b]pyridazin-3-yl)methyl]-3-fluorobenzamide
SMILESCCc1nn2ncccc2c1CNC(=O)c1ccc(OC(F)F)c(F)c1
InChIInChI=1S/C17H15F3N4O2/c1-2-13-11(14-4-3-7-22-24(14)23-13)9-21-16(25)10-5-6-15(12(18)8-10)26-17(19)20/h3-8,17H,2,9H2,1H3,(H,21,25)
InChIKeyJXZHDRWASLVISC-UHFFFAOYSA-N
MW364.33 g/mol
LogP2.96
Rot. Bonds6

About 4-(difluoromethoxy)-N-[(2-ethylpyrazolo[1,5-b]pyridazin-3-yl)methyl]-3-fluorobenzamide

4-(difluoromethoxy)-N-[(2-ethylpyrazolo[1,5-b]pyridazin-3-yl)methyl]-3-fluorobenzamide (PubChem CID 139532931) has the molecular formula C17H15F3N4O2 and a molecular weight of 364.33 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-[(2-ethylpyrazolo[1,5-b]pyridazin-3-yl)methyl]-3-fluorobenzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-[(2-ethylpyrazolo[1,5-b]pyridazin-3-yl)methyl]-3-fluorobenzamide
PubChem CID139532931
Molecular FormulaC17H15F3N4O2
Molecular Weight364.33 g/mol
Exact Mass364.11
IUPAC Name4-(difluoromethoxy)-N-[(2-ethylpyrazolo[1,5-b]pyridazin-3-yl)methyl]-3-fluorobenzamide
SMILESCCc1nn2ncccc2c1CNC(=O)c1ccc(OC(F)F)c(F)c1
InChIInChI=1S/C17H15F3N4O2/c1-2-13-11(14-4-3-7-22-24(14)23-13)9-21-16(25)10-5-6-15(12(18)8-10)26-17(19)20/h3-8,17H,2,9H2,1H3,(H,21,25)
InChIKeyJXZHDRWASLVISC-UHFFFAOYSA-N
XLogP2.96
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.33
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-[(2-ethylpyrazolo[1,5-b]pyridazin-3-yl)methyl]-3-fluorobenzamide?
The IUPAC name of 4-(difluoromethoxy)-N-[(2-ethylpyrazolo[1,5-b]pyridazin-3-yl)methyl]-3-fluorobenzamide (CID 139532931) is 4-(difluoromethoxy)-N-[(2-ethylpyrazolo[1,5-b]pyridazin-3-yl)methyl]-3-fluorobenzamide.
What is the SMILES notation for 4-(difluoromethoxy)-N-[(2-ethylpyrazolo[1,5-b]pyridazin-3-yl)methyl]-3-fluorobenzamide?
The canonical SMILES for 4-(difluoromethoxy)-N-[(2-ethylpyrazolo[1,5-b]pyridazin-3-yl)methyl]-3-fluorobenzamide is CCc1nn2ncccc2c1CNC(=O)c1ccc(OC(F)F)c(F)c1.
What is the InChIKey of 4-(difluoromethoxy)-N-[(2-ethylpyrazolo[1,5-b]pyridazin-3-yl)methyl]-3-fluorobenzamide?
The InChIKey is JXZHDRWASLVISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O2/c1-2-13-11(14-4-3-7-22-24(14)23-13)9-21-16(25)10-5-6-15(12(18)8-10)26-17(19)20/h3-8,17H,2,9H2,1H3,(H,21,25).
What are the key properties of 4-(difluoromethoxy)-N-[(2-ethylpyrazolo[1,5-b]pyridazin-3-yl)methyl]-3-fluorobenzamide?
4-(difluoromethoxy)-N-[(2-ethylpyrazolo[1,5-b]pyridazin-3-yl)methyl]-3-fluorobenzamide has a molecular weight of 364.33 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N-[(2-ethylpyrazolo[1,5-b]pyridazin-3-yl)methyl]-3-fluorobenzamide is sourced from PubChem (CID 139532931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).