N-[6-[difluoro-[6-(3-fluoro-5-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide

C24H18F3N7O — CID 59233302

IUPACN-[6-[difluoro-[6-(3-fluoro-5-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
SMILESCc1cc(F)cc(-c2ccc3nnc(C(F)(F)c4ccc5nc(NC(=O)C6CC6)cn5n4)n3c2)c1
InChIInChI=1S/C24H18F3N7O/c1-13-8-16(10-17(25)9-13)15-4-6-21-30-31-23(33(21)11-15)24(26,27)18-5-7-20-28-19(12-34(20)32-18)29-22(35)14-2-3-14/h4-12,14H,2-3H2,1H3,(H,29,35)
InChIKeyPBDLUWAGUUXNKJ-UHFFFAOYSA-N
MW477.45 g/mol
LogP4.38
Rot. Bonds5

About N-[6-[difluoro-[6-(3-fluoro-5-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide

N-[6-[difluoro-[6-(3-fluoro-5-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide (PubChem CID 59233302) has the molecular formula C24H18F3N7O and a molecular weight of 477.45 g/mol. Its IUPAC name is N-[6-[difluoro-[6-(3-fluoro-5-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-[difluoro-[6-(3-fluoro-5-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
PubChem CID59233302
Molecular FormulaC24H18F3N7O
Molecular Weight477.45 g/mol
Exact Mass477.15
IUPAC NameN-[6-[difluoro-[6-(3-fluoro-5-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
SMILESCc1cc(F)cc(-c2ccc3nnc(C(F)(F)c4ccc5nc(NC(=O)C6CC6)cn5n4)n3c2)c1
InChIInChI=1S/C24H18F3N7O/c1-13-8-16(10-17(25)9-13)15-4-6-21-30-31-23(33(21)11-15)24(26,27)18-5-7-20-28-19(12-34(20)32-18)29-22(35)14-2-3-14/h4-12,14H,2-3H2,1H3,(H,29,35)
InChIKeyPBDLUWAGUUXNKJ-UHFFFAOYSA-N
XLogP4.38
TPSA89.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.45
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[6-[difluoro-[6-(3-fluoro-5-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-[difluoro-[6-(3-fluoro-5-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[6-[difluoro-[6-(3-fluoro-5-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide (CID 59233302) is N-[6-[difluoro-[6-(3-fluoro-5-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-[difluoro-[6-(3-fluoro-5-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-[difluoro-[6-(3-fluoro-5-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide is Cc1cc(F)cc(-c2ccc3nnc(C(F)(F)c4ccc5nc(NC(=O)C6CC6)cn5n4)n3c2)c1.
What is the InChIKey of N-[6-[difluoro-[6-(3-fluoro-5-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
The InChIKey is PBDLUWAGUUXNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N7O/c1-13-8-16(10-17(25)9-13)15-4-6-21-30-31-23(33(21)11-15)24(26,27)18-5-7-20-28-19(12-34(20)32-18)29-22(35)14-2-3-14/h4-12,14H,2-3H2,1H3,(H,29,35).
What are the key properties of N-[6-[difluoro-[6-(3-fluoro-5-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
N-[6-[difluoro-[6-(3-fluoro-5-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide has a molecular weight of 477.45 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[difluoro-[6-(3-fluoro-5-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 59233302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).