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

C15H11ClF2N4O2 — CID 139532997

IUPAC3-chloro-4-(difluoromethoxy)-N-(pyrazolo[1,5-b]pyridazin-3-ylmethyl)benzamide
SMILESO=C(NCc1cnn2ncccc12)c1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C15H11ClF2N4O2/c16-11-6-9(3-4-13(11)24-15(17)18)14(23)19-7-10-8-21-22-12(10)2-1-5-20-22/h1-6,8,15H,7H2,(H,19,23)
InChIKeyNTPAPSKUYONKQS-UHFFFAOYSA-N
MW352.73 g/mol
LogP2.91
Rot. Bonds5

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

3-chloro-4-(difluoromethoxy)-N-(pyrazolo[1,5-b]pyridazin-3-ylmethyl)benzamide (PubChem CID 139532997) has the molecular formula C15H11ClF2N4O2 and a molecular weight of 352.73 g/mol. Its IUPAC name is 3-chloro-4-(difluoromethoxy)-N-(pyrazolo[1,5-b]pyridazin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3-chloro-4-(difluoromethoxy)-N-(pyrazolo[1,5-b]pyridazin-3-ylmethyl)benzamide
PubChem CID139532997
Molecular FormulaC15H11ClF2N4O2
Molecular Weight352.73 g/mol
Exact Mass352.05
IUPAC Name3-chloro-4-(difluoromethoxy)-N-(pyrazolo[1,5-b]pyridazin-3-ylmethyl)benzamide
SMILESO=C(NCc1cnn2ncccc12)c1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C15H11ClF2N4O2/c16-11-6-9(3-4-13(11)24-15(17)18)14(23)19-7-10-8-21-22-12(10)2-1-5-20-22/h1-6,8,15H,7H2,(H,19,23)
InChIKeyNTPAPSKUYONKQS-UHFFFAOYSA-N
XLogP2.91
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.73
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-chloro-4-(difluoromethoxy)-N-(pyrazolo[1,5-b]pyridazin-3-ylmethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1R)-2,2,2-trifluoro-1-(3-fluoro-4-methoxyphenyl)ethyl]pyrazolo[1,5-b]pyridazine-3-carboxamide
CID 132299210
2-[[3-chloro-4-(2,2-difluoroethoxy)phenyl]methyl]-N-methylpyrazolo[4,3-c]pyridine-4-carboxamide
CID 90118959
2-[[3-chloro-4-(2,2-difluoroethoxy)phenyl]methyl]-N-ethylpyrazolo[4,3-c]pyridine-4-carboxamide
CID 90119052
N-(2-acetamidoethyl)-2-[[3-chloro-4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide
CID 90119129
N-[4-(3-chloro-4-methoxybenzoyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,3-b]pyridin-7-yl]-2-(trifluoromethyl)benzamide
CID 134278998
3-chloro-N-[(5-cyclopropyl-1H-indazol-4-yl)methyl]-4-(difluoromethoxy)benzamide
CID 137453531
3-chloro-4-(difluoromethoxy)-N-(1H-indazol-4-ylmethyl)benzamide
CID 137453603
4-(difluoromethoxy)-3-fluoro-N-[(4-methylpyrazolo[1,5-b]pyridazin-3-yl)methyl]benzamide
CID 139532914
N-(triazolo[1,5-b]pyridazin-3-ylmethyl)-4-(trifluoromethoxy)benzamide
CID 139532917
3-chloro-4-(difluoromethoxy)-N-(triazolo[1,5-b]pyridazin-3-ylmethyl)benzamide
CID 139532918
3-fluoro-N-(triazolo[1,5-b]pyridazin-3-ylmethyl)-4-(trifluoromethoxy)benzamide
CID 139532920
3-fluoro-N-[(5-methylpyrazolo[1,5-b]pyridazin-3-yl)methyl]-4-(trifluoromethoxy)benzamide
CID 139532930

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(difluoromethoxy)-N-(pyrazolo[1,5-b]pyridazin-3-ylmethyl)benzamide?
The IUPAC name of 3-chloro-4-(difluoromethoxy)-N-(pyrazolo[1,5-b]pyridazin-3-ylmethyl)benzamide (CID 139532997) is 3-chloro-4-(difluoromethoxy)-N-(pyrazolo[1,5-b]pyridazin-3-ylmethyl)benzamide.
What is the SMILES notation for 3-chloro-4-(difluoromethoxy)-N-(pyrazolo[1,5-b]pyridazin-3-ylmethyl)benzamide?
The canonical SMILES for 3-chloro-4-(difluoromethoxy)-N-(pyrazolo[1,5-b]pyridazin-3-ylmethyl)benzamide is O=C(NCc1cnn2ncccc12)c1ccc(OC(F)F)c(Cl)c1.
What is the InChIKey of 3-chloro-4-(difluoromethoxy)-N-(pyrazolo[1,5-b]pyridazin-3-ylmethyl)benzamide?
The InChIKey is NTPAPSKUYONKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF2N4O2/c16-11-6-9(3-4-13(11)24-15(17)18)14(23)19-7-10-8-21-22-12(10)2-1-5-20-22/h1-6,8,15H,7H2,(H,19,23).
What are the key properties of 3-chloro-4-(difluoromethoxy)-N-(pyrazolo[1,5-b]pyridazin-3-ylmethyl)benzamide?
3-chloro-4-(difluoromethoxy)-N-(pyrazolo[1,5-b]pyridazin-3-ylmethyl)benzamide has a molecular weight of 352.73 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(difluoromethoxy)-N-(pyrazolo[1,5-b]pyridazin-3-ylmethyl)benzamide is sourced from PubChem (CID 139532997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).