N-[[1-[6-(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)-4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide

C26H32F2N8O3S — CID 139343465

IUPACN-[[1-[6-(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)-4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide
SMILESCC(=O)N1CC2(C1)CN(c1cc(-c3cnc4ccc(C(F)F)nn34)cc(N3CCCC(CNS(C)(=O)=O)C3)n1)C2
InChIInChI=1S/C26H32F2N8O3S/c1-17(37)34-13-26(14-34)15-35(16-26)24-9-19(21-11-29-22-6-5-20(25(27)28)32-36(21)22)8-23(31-24)33-7-3-4-18(12-33)10-30-40(2,38)39/h5-6,8-9,11,18,25,30H,3-4,7,10,12-16H2,1-2H3
InChIKeyIXJBVOIQISHPOW-UHFFFAOYSA-N
MW574.66 g/mol
LogP2.16
Rot. Bonds7

About N-[[1-[6-(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)-4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide

N-[[1-[6-(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)-4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide (PubChem CID 139343465) has the molecular formula C26H32F2N8O3S and a molecular weight of 574.66 g/mol. Its IUPAC name is N-[[1-[6-(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)-4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-[6-(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)-4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide
PubChem CID139343465
Molecular FormulaC26H32F2N8O3S
Molecular Weight574.66 g/mol
Exact Mass574.23
IUPAC NameN-[[1-[6-(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)-4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide
SMILESCC(=O)N1CC2(C1)CN(c1cc(-c3cnc4ccc(C(F)F)nn34)cc(N3CCCC(CNS(C)(=O)=O)C3)n1)C2
InChIInChI=1S/C26H32F2N8O3S/c1-17(37)34-13-26(14-34)15-35(16-26)24-9-19(21-11-29-22-6-5-20(25(27)28)32-36(21)22)8-23(31-24)33-7-3-4-18(12-33)10-30-40(2,38)39/h5-6,8-9,11,18,25,30H,3-4,7,10,12-16H2,1-2H3
InChIKeyIXJBVOIQISHPOW-UHFFFAOYSA-N
XLogP2.16
TPSA116.04 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500574.66
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[[1-[6-(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)-4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[6-(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)-4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-[6-(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)-4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide (CID 139343465) is N-[[1-[6-(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)-4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-[6-(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)-4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-[6-(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)-4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide is CC(=O)N1CC2(C1)CN(c1cc(-c3cnc4ccc(C(F)F)nn34)cc(N3CCCC(CNS(C)(=O)=O)C3)n1)C2.
What is the InChIKey of N-[[1-[6-(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)-4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide?
The InChIKey is IXJBVOIQISHPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32F2N8O3S/c1-17(37)34-13-26(14-34)15-35(16-26)24-9-19(21-11-29-22-6-5-20(25(27)28)32-36(21)22)8-23(31-24)33-7-3-4-18(12-33)10-30-40(2,38)39/h5-6,8-9,11,18,25,30H,3-4,7,10,12-16H2,1-2H3.
What are the key properties of N-[[1-[6-(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)-4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide?
N-[[1-[6-(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)-4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide has a molecular weight of 574.66 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[6-(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)-4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 139343465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).