N-[1-[4-[2-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-4-pyridinyl]morpholin-2-yl]ethyl]methanesulfonamide

C19H22F2N6O3S — CID 139357571

IUPACN-[1-[4-[2-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-4-pyridinyl]morpholin-2-yl]ethyl]methanesulfonamide
SMILESCC(NS(C)(=O)=O)C1CN(c2ccnc(-c3cnc4ccc(C(F)F)nn34)c2)CCO1
InChIInChI=1S/C19H22F2N6O3S/c1-12(25-31(2,28)29)17-11-26(7-8-30-17)13-5-6-22-15(9-13)16-10-23-18-4-3-14(19(20)21)24-27(16)18/h3-6,9-10,12,17,19,25H,7-8,11H2,1-2H3
InChIKeyBRPTUMATPBYBGZ-UHFFFAOYSA-N
MW452.49 g/mol
LogP1.87
Rot. Bonds6

About N-[1-[4-[2-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-4-pyridinyl]morpholin-2-yl]ethyl]methanesulfonamide

N-[1-[4-[2-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-4-pyridinyl]morpholin-2-yl]ethyl]methanesulfonamide (PubChem CID 139357571) has the molecular formula C19H22F2N6O3S and a molecular weight of 452.49 g/mol. Its IUPAC name is N-[1-[4-[2-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-4-pyridinyl]morpholin-2-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[4-[2-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-4-pyridinyl]morpholin-2-yl]ethyl]methanesulfonamide
PubChem CID139357571
Molecular FormulaC19H22F2N6O3S
Molecular Weight452.49 g/mol
Exact Mass452.14
IUPAC NameN-[1-[4-[2-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-4-pyridinyl]morpholin-2-yl]ethyl]methanesulfonamide
SMILESCC(NS(C)(=O)=O)C1CN(c2ccnc(-c3cnc4ccc(C(F)F)nn34)c2)CCO1
InChIInChI=1S/C19H22F2N6O3S/c1-12(25-31(2,28)29)17-11-26(7-8-30-17)13-5-6-22-15(9-13)16-10-23-18-4-3-14(19(20)21)24-27(16)18/h3-6,9-10,12,17,19,25H,7-8,11H2,1-2H3
InChIKeyBRPTUMATPBYBGZ-UHFFFAOYSA-N
XLogP1.87
TPSA101.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.49
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[2-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-4-pyridinyl]morpholin-2-yl]ethyl]methanesulfonamide?
The IUPAC name of N-[1-[4-[2-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-4-pyridinyl]morpholin-2-yl]ethyl]methanesulfonamide (CID 139357571) is N-[1-[4-[2-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-4-pyridinyl]morpholin-2-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[1-[4-[2-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-4-pyridinyl]morpholin-2-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[1-[4-[2-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-4-pyridinyl]morpholin-2-yl]ethyl]methanesulfonamide is CC(NS(C)(=O)=O)C1CN(c2ccnc(-c3cnc4ccc(C(F)F)nn34)c2)CCO1.
What is the InChIKey of N-[1-[4-[2-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-4-pyridinyl]morpholin-2-yl]ethyl]methanesulfonamide?
The InChIKey is BRPTUMATPBYBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N6O3S/c1-12(25-31(2,28)29)17-11-26(7-8-30-17)13-5-6-22-15(9-13)16-10-23-18-4-3-14(19(20)21)24-27(16)18/h3-6,9-10,12,17,19,25H,7-8,11H2,1-2H3.
What are the key properties of N-[1-[4-[2-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-4-pyridinyl]morpholin-2-yl]ethyl]methanesulfonamide?
N-[1-[4-[2-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-4-pyridinyl]morpholin-2-yl]ethyl]methanesulfonamide has a molecular weight of 452.49 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[2-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-4-pyridinyl]morpholin-2-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 139357571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).