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

C19H20F2N6O — CID 139359278

IUPACN-[1-[2-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-4-pyridinyl]piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(c2ccnc(-c3cnc4ccc(C(F)F)nn34)c2)C1
InChIInChI=1S/C19H20F2N6O/c1-12(28)24-13-3-2-8-26(11-13)14-6-7-22-16(9-14)17-10-23-18-5-4-15(19(20)21)25-27(17)18/h4-7,9-10,13,19H,2-3,8,11H2,1H3,(H,24,28)
InChIKeyBQEJNQNZOGHUBS-UHFFFAOYSA-N
MW386.41 g/mol
LogP2.83
Rot. Bonds4

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

N-[1-[2-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-4-pyridinyl]piperidin-3-yl]acetamide (PubChem CID 139359278) has the molecular formula C19H20F2N6O and a molecular weight of 386.41 g/mol. Its IUPAC name is N-[1-[2-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-4-pyridinyl]piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[2-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-4-pyridinyl]piperidin-3-yl]acetamide
PubChem CID139359278
Molecular FormulaC19H20F2N6O
Molecular Weight386.41 g/mol
Exact Mass386.17
IUPAC NameN-[1-[2-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-4-pyridinyl]piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(c2ccnc(-c3cnc4ccc(C(F)F)nn34)c2)C1
InChIInChI=1S/C19H20F2N6O/c1-12(28)24-13-3-2-8-26(11-13)14-6-7-22-16(9-14)17-10-23-18-5-4-15(19(20)21)25-27(17)18/h4-7,9-10,13,19H,2-3,8,11H2,1H3,(H,24,28)
InChIKeyBQEJNQNZOGHUBS-UHFFFAOYSA-N
XLogP2.83
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]methanesulfonamide
CID 152594271
1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide
CID 139359592
1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-N-methylpiperidine-3-sulfonamide
CID 139359615
6-(difluoromethyl)-3-[6-[3-(ethylsulfonylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine
CID 146887524
N-[[(8aS)-2-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-4-yl]methyl]methanesulfinamide
CID 139358128
6-(difluoromethyl)-3-[6-[3-[(sulfinatoamino)methyl]piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine
CID 139357894
4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-N-methyl-6-[(3S)-3-methylpiperidin-1-yl]pyridin-2-amine
CID 139359554
[[(8aS)-2-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-4-yl]methylamino]-hydroxy-methylsulfanium
CID 152856560
N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]oxetane-3-sulfonamide
CID 139357557
N-[[1-[2-cyano-5-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]piperidin-3-yl]methyl]methanesulfonamide
CID 139343578
N-[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperidin-3-yl]methanesulfonamide
CID 139359326
tert-butyl-[(3S)-1-[2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-4-pyridinyl]pyrrolidin-3-yl]oxy-dimethylsilane
CID 171062291

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-4-pyridinyl]piperidin-3-yl]acetamide?
The IUPAC name of N-[1-[2-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-4-pyridinyl]piperidin-3-yl]acetamide (CID 139359278) is N-[1-[2-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-4-pyridinyl]piperidin-3-yl]acetamide.
What is the SMILES notation for N-[1-[2-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-4-pyridinyl]piperidin-3-yl]acetamide?
The canonical SMILES for N-[1-[2-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-4-pyridinyl]piperidin-3-yl]acetamide is CC(=O)NC1CCCN(c2ccnc(-c3cnc4ccc(C(F)F)nn34)c2)C1.
What is the InChIKey of N-[1-[2-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-4-pyridinyl]piperidin-3-yl]acetamide?
The InChIKey is BQEJNQNZOGHUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N6O/c1-12(28)24-13-3-2-8-26(11-13)14-6-7-22-16(9-14)17-10-23-18-5-4-15(19(20)21)25-27(17)18/h4-7,9-10,13,19H,2-3,8,11H2,1H3,(H,24,28).
What are the key properties of N-[1-[2-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-4-pyridinyl]piperidin-3-yl]acetamide?
N-[1-[2-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-4-pyridinyl]piperidin-3-yl]acetamide has a molecular weight of 386.41 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-4-pyridinyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 139359278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).