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

C25H24F2N8O4S — CID 59232993

IUPACN-[6-[difluoro-[6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
SMILESCS(=O)(=O)CCNCc1ccc(-c2ccc3nnc(C(F)(F)c4ccc5nc(NC(=O)C6CC6)cn5n4)n3c2)o1
InChIInChI=1S/C25H24F2N8O4S/c1-40(37,38)11-10-28-12-17-5-6-18(39-17)16-4-8-22-31-32-24(34(22)13-16)25(26,27)19-7-9-21-29-20(14-35(21)33-19)30-23(36)15-2-3-15/h4-9,13-15,28H,2-3,10-12H2,1H3,(H,30,36)
InChIKeyVMDFDRHAZKJFHL-UHFFFAOYSA-N
MW570.58 g/mol
LogP2.65
Rot. Bonds10

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

N-[6-[difluoro-[6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide (PubChem CID 59232993) has the molecular formula C25H24F2N8O4S and a molecular weight of 570.58 g/mol. Its IUPAC name is N-[6-[difluoro-[6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-[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-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
PubChem CID59232993
Molecular FormulaC25H24F2N8O4S
Molecular Weight570.58 g/mol
Exact Mass570.16
IUPAC NameN-[6-[difluoro-[6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
SMILESCS(=O)(=O)CCNCc1ccc(-c2ccc3nnc(C(F)(F)c4ccc5nc(NC(=O)C6CC6)cn5n4)n3c2)o1
InChIInChI=1S/C25H24F2N8O4S/c1-40(37,38)11-10-28-12-17-5-6-18(39-17)16-4-8-22-31-32-24(34(22)13-16)25(26,27)19-7-9-21-29-20(14-35(21)33-19)30-23(36)15-2-3-15/h4-9,13-15,28H,2-3,10-12H2,1H3,(H,30,36)
InChIKeyVMDFDRHAZKJFHL-UHFFFAOYSA-N
XLogP2.65
TPSA148.79 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.58
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[6-[difluoro-[6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-[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-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-[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-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide (CID 59232993) is N-[6-[difluoro-[6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-[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-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-[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-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide is CS(=O)(=O)CCNCc1ccc(-c2ccc3nnc(C(F)(F)c4ccc5nc(NC(=O)C6CC6)cn5n4)n3c2)o1.
What is the InChIKey of N-[6-[difluoro-[6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
The InChIKey is VMDFDRHAZKJFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2N8O4S/c1-40(37,38)11-10-28-12-17-5-6-18(39-17)16-4-8-22-31-32-24(34(22)13-16)25(26,27)19-7-9-21-29-20(14-35(21)33-19)30-23(36)15-2-3-15/h4-9,13-15,28H,2-3,10-12H2,1H3,(H,30,36).
What are the key properties of N-[6-[difluoro-[6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
N-[6-[difluoro-[6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide has a molecular weight of 570.58 g/mol, XLogP of 2.65, 10 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[difluoro-[6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 59232993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).