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

C18H20F2N6O2S — CID 152594271

IUPACN-[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCCN(c2cc(-c3cnc4ccc(C(F)F)nn34)ccn2)C1
InChIInChI=1S/C18H20F2N6O2S/c1-29(27,28)24-13-3-2-8-25(11-13)17-9-12(6-7-21-17)15-10-22-16-5-4-14(18(19)20)23-26(15)16/h4-7,9-10,13,18,24H,2-3,8,11H2,1H3
InChIKeyYWCXMVURPPIQLO-UHFFFAOYSA-N
MW422.46 g/mol
LogP2.25
Rot. Bonds5

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

N-[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]methanesulfonamide (PubChem CID 152594271) has the molecular formula C18H20F2N6O2S and a molecular weight of 422.46 g/mol. Its IUPAC name is N-[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]methanesulfonamide
PubChem CID152594271
Molecular FormulaC18H20F2N6O2S
Molecular Weight422.46 g/mol
Exact Mass422.13
IUPAC NameN-[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCCN(c2cc(-c3cnc4ccc(C(F)F)nn34)ccn2)C1
InChIInChI=1S/C18H20F2N6O2S/c1-29(27,28)24-13-3-2-8-25(11-13)17-9-12(6-7-21-17)15-10-22-16-5-4-14(18(19)20)23-26(15)16/h4-7,9-10,13,18,24H,2-3,8,11H2,1H3
InChIKeyYWCXMVURPPIQLO-UHFFFAOYSA-N
XLogP2.25
TPSA92.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[4-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]methanesulfonamide
CID 139359419
N-[[1-[2-cyano-5-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]piperidin-3-yl]methyl]methanesulfonamide
CID 139343578
2-[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-yl]ethanol
CID 139357609
8-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-methylsulfonyl-5-oxa-2,8-diazaspiro[3.5]nonane
CID 139357429
1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-N-methylpiperidine-3-sulfonamide
CID 139359615
4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-N-methyl-6-[(3S)-3-methylpiperidin-1-yl]pyridin-2-amine
CID 139359554
N-[1-[2-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-4-pyridinyl]piperidin-3-yl]acetamide
CID 139359278
6-(difluoromethyl)-3-[6-[3-(ethylsulfonylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine
CID 146887524
N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]methyl]methanesulfonamide
CID 139359352
1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide
CID 139359592
N-(1-pyrazin-2-ylpiperidin-3-yl)methanesulfonamide
CID 163354597
N-[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]azepan-4-yl]methanesulfonamide
CID 139358686

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]methanesulfonamide?
The IUPAC name of N-[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]methanesulfonamide (CID 152594271) is N-[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]methanesulfonamide is CS(=O)(=O)NC1CCCN(c2cc(-c3cnc4ccc(C(F)F)nn34)ccn2)C1.
What is the InChIKey of N-[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]methanesulfonamide?
The InChIKey is YWCXMVURPPIQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N6O2S/c1-29(27,28)24-13-3-2-8-25(11-13)17-9-12(6-7-21-17)15-10-22-16-5-4-14(18(19)20)23-26(15)16/h4-7,9-10,13,18,24H,2-3,8,11H2,1H3.
What are the key properties of N-[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]methanesulfonamide?
N-[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]methanesulfonamide has a molecular weight of 422.46 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 152594271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).