6-(difluoromethoxy)-5-fluoro-N-[(5-methyltriazolo[1,5-b]pyridazin-3-yl)methyl]pyridine-3-carboxamide

C14H11F3N6O2 — CID 139532950

IUPAC6-(difluoromethoxy)-5-fluoro-N-[(5-methyltriazolo[1,5-b]pyridazin-3-yl)methyl]pyridine-3-carboxamide
SMILESCc1cnn2nnc(CNC(=O)c3cnc(OC(F)F)c(F)c3)c2c1
InChIInChI=1S/C14H11F3N6O2/c1-7-2-11-10(21-22-23(11)20-4-7)6-18-12(24)8-3-9(15)13(19-5-8)25-14(16)17/h2-5,14H,6H2,1H3,(H,18,24)
InChIKeySGZJORMSTICPQU-UHFFFAOYSA-N
MW352.28 g/mol
LogP1.50
Rot. Bonds5

About 6-(difluoromethoxy)-5-fluoro-N-[(5-methyltriazolo[1,5-b]pyridazin-3-yl)methyl]pyridine-3-carboxamide

6-(difluoromethoxy)-5-fluoro-N-[(5-methyltriazolo[1,5-b]pyridazin-3-yl)methyl]pyridine-3-carboxamide (PubChem CID 139532950) has the molecular formula C14H11F3N6O2 and a molecular weight of 352.28 g/mol. Its IUPAC name is 6-(difluoromethoxy)-5-fluoro-N-[(5-methyltriazolo[1,5-b]pyridazin-3-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(difluoromethoxy)-5-fluoro-N-[(5-methyltriazolo[1,5-b]pyridazin-3-yl)methyl]pyridine-3-carboxamide
PubChem CID139532950
Molecular FormulaC14H11F3N6O2
Molecular Weight352.28 g/mol
Exact Mass352.09
IUPAC Name6-(difluoromethoxy)-5-fluoro-N-[(5-methyltriazolo[1,5-b]pyridazin-3-yl)methyl]pyridine-3-carboxamide
SMILESCc1cnn2nnc(CNC(=O)c3cnc(OC(F)F)c(F)c3)c2c1
InChIInChI=1S/C14H11F3N6O2/c1-7-2-11-10(21-22-23(11)20-4-7)6-18-12(24)8-3-9(15)13(19-5-8)25-14(16)17/h2-5,14H,6H2,1H3,(H,18,24)
InChIKeySGZJORMSTICPQU-UHFFFAOYSA-N
XLogP1.50
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.28
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-(difluoromethoxy)-5-fluoro-N-[(5-methyltriazolo[1,5-b]pyridazin-3-yl)methyl]pyridine-3-carboxamide with MolForge

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Related Compounds

6-(difluoromethoxy)-5-fluoro-N-[(5-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 166012081
6-(difluoromethoxy)-N-[(4-ethoxy-5-fluoro-3-pyridinyl)methyl]-5-fluoropyridine-3-carboxamide
CID 166012076
N-[(5-bromo-2-methoxyphenyl)methyl]-6-(difluoromethoxy)-5-fluoropyridine-3-carboxamide
CID 154659672
6-(difluoromethoxy)-5-fluoro-N-[(3-methyl-2H-indazol-4-yl)methyl]pyridine-3-carboxamide
CID 137453534
N-[(3-cyano-5-methoxyphenyl)methyl]-6-(difluoromethoxy)-5-fluoropyridine-3-carboxamide
CID 162392014
N-[[4-(3,3-difluorocyclobutyl)pyrimidin-5-yl]methyl]-6-(difluoromethoxy)-5-fluoropyridine-3-carboxamide
CID 166012116
N-[(5-cyano-2-methylphenyl)methyl]-5-fluoro-6-(1-fluoroethoxy)pyridine-3-carboxamide
CID 166863644
N-[(Z)-3-amino-4,4-difluoro-2-pyridazin-3-ylbut-2-enyl]-6-(difluoromethoxy)-5-fluoropyridine-3-carboxamide
CID 153348287
4-(difluoromethoxy)-3,5-difluoro-N-[(4-methoxypyrimidin-5-yl)methyl]benzamide
CID 166012158
(5-fluoro-6-propan-2-yloxy-3-pyridinyl)methylcarbamic acid
CID 170307338
5-fluoro-6-methoxy-N-[(5-methyl-2H-benzotriazol-4-yl)methyl]pyridine-3-carboxamide
CID 142522029
5-fluoro-6-methoxy-N-[(5-methoxy-2,3-dimethylbenzimidazol-4-yl)methyl]pyridine-3-carboxamide
CID 137453613

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethoxy)-5-fluoro-N-[(5-methyltriazolo[1,5-b]pyridazin-3-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 6-(difluoromethoxy)-5-fluoro-N-[(5-methyltriazolo[1,5-b]pyridazin-3-yl)methyl]pyridine-3-carboxamide (CID 139532950) is 6-(difluoromethoxy)-5-fluoro-N-[(5-methyltriazolo[1,5-b]pyridazin-3-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(difluoromethoxy)-5-fluoro-N-[(5-methyltriazolo[1,5-b]pyridazin-3-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(difluoromethoxy)-5-fluoro-N-[(5-methyltriazolo[1,5-b]pyridazin-3-yl)methyl]pyridine-3-carboxamide is Cc1cnn2nnc(CNC(=O)c3cnc(OC(F)F)c(F)c3)c2c1.
What is the InChIKey of 6-(difluoromethoxy)-5-fluoro-N-[(5-methyltriazolo[1,5-b]pyridazin-3-yl)methyl]pyridine-3-carboxamide?
The InChIKey is SGZJORMSTICPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N6O2/c1-7-2-11-10(21-22-23(11)20-4-7)6-18-12(24)8-3-9(15)13(19-5-8)25-14(16)17/h2-5,14H,6H2,1H3,(H,18,24).
What are the key properties of 6-(difluoromethoxy)-5-fluoro-N-[(5-methyltriazolo[1,5-b]pyridazin-3-yl)methyl]pyridine-3-carboxamide?
6-(difluoromethoxy)-5-fluoro-N-[(5-methyltriazolo[1,5-b]pyridazin-3-yl)methyl]pyridine-3-carboxamide has a molecular weight of 352.28 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethoxy)-5-fluoro-N-[(5-methyltriazolo[1,5-b]pyridazin-3-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 139532950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).