3,5-difluoro-4-methoxy-N-(pyrazolo[1,5-b]pyridazin-3-ylmethyl)benzamide

C15H12F2N4O2 — CID 139532981

IUPAC3,5-difluoro-4-methoxy-N-(pyrazolo[1,5-b]pyridazin-3-ylmethyl)benzamide
SMILESCOc1c(F)cc(C(=O)NCc2cnn3ncccc23)cc1F
InChIInChI=1S/C15H12F2N4O2/c1-23-14-11(16)5-9(6-12(14)17)15(22)18-7-10-8-20-21-13(10)3-2-4-19-21/h2-6,8H,7H2,1H3,(H,18,22)
InChIKeyNSSTVGTYVRTUTM-UHFFFAOYSA-N
MW318.28 g/mol
LogP1.95
Rot. Bonds4

About 3,5-difluoro-4-methoxy-N-(pyrazolo[1,5-b]pyridazin-3-ylmethyl)benzamide

3,5-difluoro-4-methoxy-N-(pyrazolo[1,5-b]pyridazin-3-ylmethyl)benzamide (PubChem CID 139532981) has the molecular formula C15H12F2N4O2 and a molecular weight of 318.28 g/mol. Its IUPAC name is 3,5-difluoro-4-methoxy-N-(pyrazolo[1,5-b]pyridazin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3,5-difluoro-4-methoxy-N-(pyrazolo[1,5-b]pyridazin-3-ylmethyl)benzamide
PubChem CID139532981
Molecular FormulaC15H12F2N4O2
Molecular Weight318.28 g/mol
Exact Mass318.09
IUPAC Name3,5-difluoro-4-methoxy-N-(pyrazolo[1,5-b]pyridazin-3-ylmethyl)benzamide
SMILESCOc1c(F)cc(C(=O)NCc2cnn3ncccc23)cc1F
InChIInChI=1S/C15H12F2N4O2/c1-23-14-11(16)5-9(6-12(14)17)15(22)18-7-10-8-20-21-13(10)3-2-4-19-21/h2-6,8H,7H2,1H3,(H,18,22)
InChIKeyNSSTVGTYVRTUTM-UHFFFAOYSA-N
XLogP1.95
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.28
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)benzamide
CID 90538443
3,5-difluoro-4-methoxy-N-[(5-methoxy-2,3-dihydro-1H-benzotriazol-4-yl)methyl]benzamide
CID 137453514
4-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)benzamide
CID 90538445
4-(difluoromethoxy)-3,5-difluoro-N-[(4-methoxypyrimidin-5-yl)methyl]benzamide
CID 166012158
3-fluoro-N-[(2-fluorophenyl)methyl]-4-methoxybenzamide
CID 27514924
3,4,5-trifluoro-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114699471
N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]pyridine-3-carboxamide
CID 110782938
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,5-difluoro-4-hydrazinylbenzamide
CID 106040107
3,5-dichloro-4-methoxy-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
CID 51126235
3,4,5-trifluoro-N-[(2-hydroxyphenyl)methyl]benzamide
CID 115735463
4-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-fluorobenzamide
CID 106032758
3,5-dibromo-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 103907640

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-methoxy-N-(pyrazolo[1,5-b]pyridazin-3-ylmethyl)benzamide?
The IUPAC name of 3,5-difluoro-4-methoxy-N-(pyrazolo[1,5-b]pyridazin-3-ylmethyl)benzamide (CID 139532981) is 3,5-difluoro-4-methoxy-N-(pyrazolo[1,5-b]pyridazin-3-ylmethyl)benzamide.
What is the SMILES notation for 3,5-difluoro-4-methoxy-N-(pyrazolo[1,5-b]pyridazin-3-ylmethyl)benzamide?
The canonical SMILES for 3,5-difluoro-4-methoxy-N-(pyrazolo[1,5-b]pyridazin-3-ylmethyl)benzamide is COc1c(F)cc(C(=O)NCc2cnn3ncccc23)cc1F.
What is the InChIKey of 3,5-difluoro-4-methoxy-N-(pyrazolo[1,5-b]pyridazin-3-ylmethyl)benzamide?
The InChIKey is NSSTVGTYVRTUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N4O2/c1-23-14-11(16)5-9(6-12(14)17)15(22)18-7-10-8-20-21-13(10)3-2-4-19-21/h2-6,8H,7H2,1H3,(H,18,22).
What are the key properties of 3,5-difluoro-4-methoxy-N-(pyrazolo[1,5-b]pyridazin-3-ylmethyl)benzamide?
3,5-difluoro-4-methoxy-N-(pyrazolo[1,5-b]pyridazin-3-ylmethyl)benzamide has a molecular weight of 318.28 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-methoxy-N-(pyrazolo[1,5-b]pyridazin-3-ylmethyl)benzamide is sourced from PubChem (CID 139532981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).