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

C18H21F2N7O2S — CID 139343243

IUPACN-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CCCN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1
InChIInChI=1S/C18H21F2N7O2S/c1-30(28,29)24-8-12-3-2-6-26(10-12)17-7-14(22-11-23-17)15-9-21-16-5-4-13(18(19)20)25-27(15)16/h4-5,7,9,11-12,18,24H,2-3,6,8,10H2,1H3
InChIKeyBISSAVJKGNSGCS-UHFFFAOYSA-N
MW437.48 g/mol
LogP1.89
Rot. Bonds6

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

N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide (PubChem CID 139343243) has the molecular formula C18H21F2N7O2S and a molecular weight of 437.48 g/mol. Its IUPAC name is N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide
PubChem CID139343243
Molecular FormulaC18H21F2N7O2S
Molecular Weight437.48 g/mol
Exact Mass437.14
IUPAC NameN-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CCCN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1
InChIInChI=1S/C18H21F2N7O2S/c1-30(28,29)24-8-12-3-2-6-26(10-12)17-7-14(22-11-23-17)15-9-21-16-5-4-13(18(19)20)25-27(15)16/h4-5,7,9,11-12,18,24H,2-3,6,8,10H2,1H3
InChIKeyBISSAVJKGNSGCS-UHFFFAOYSA-N
XLogP1.89
TPSA105.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.48
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide (CID 139343243) is N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide is CS(=O)(=O)NCC1CCCN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1.
What is the InChIKey of N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide?
The InChIKey is BISSAVJKGNSGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N7O2S/c1-30(28,29)24-8-12-3-2-6-26(10-12)17-7-14(22-11-23-17)15-9-21-16-5-4-13(18(19)20)25-27(15)16/h4-5,7,9,11-12,18,24H,2-3,6,8,10H2,1H3.
What are the key properties of N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide?
N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide has a molecular weight of 437.48 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 139343243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).