1-[4-[5-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-3-pyridinyl]piperazin-1-yl]ethanone;[(2S)-4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-2-yl]methanol;1-[4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]-2-methoxyethanone;2-[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-yl]ethanol

C73H77F8N23O5 — CID 159628902

IUPAC1-[4-[5-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-3-pyridinyl]piperazin-1-yl]ethanone;[(2S)-4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-2-yl]methanol;1-[4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]-2-methoxyethanone;2-[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-yl]ethanol
SMILESCC(=O)N1CCN(c2cncc(-c3cnc4ccc(C(F)F)nn34)c2)CC1.COCC(=O)N1CCN(c2cc(-c3cnc4ccc(C(F)F)nn34)ccn2)CC1.OCCC1CCN(c2cc(-c3cnc4ccc(C(F)F)nn34)ccn2)CC1.OC[C@@H]1CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ccn2)CCN1
InChIInChI=1S/C19H20F2N6O2.C19H21F2N5O.C18H18F2N6O.C17H18F2N6O/c1-29-12-18(28)26-8-6-25(7-9-26)17-10-13(4-5-22-17)15-11-23-16-3-2-14(19(20)21)24-27(15)16;20-19(21)15-1-2-17-23-12-16(26(17)24-15)14-3-7-22-18(11-14)25-8-4-13(5-9-25)6-10-27;1-12(27)24-4-6-25(7-5-24)14-8-13(9-21-10-14)16-11-22-17-3-2-15(18(19)20)23-26(16)17;18-17(19)13-1-2-15-22-8-14(25(15)23-13)11-3-4-21-16(7-11)24-6-5-20-12(9-24)10-26/h2-5,10-11,19H,6-9,12H2,1H3;1-3,7,11-13,19,27H,4-6,8-10H2;2-3,8-11,18H,4-7H2,1H3;1-4,7-8,12,17,20,26H,5-6,9-10H2/t;;;12-/m...0/s1
InChIKeyMOWCCSRUSBQHJN-MTINXTFISA-N
MW1508.56 g/mol
LogP9.25
Rot. Bonds17

About 1-[4-[5-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-3-pyridinyl]piperazin-1-yl]ethanone;[(2S)-4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-2-yl]methanol;1-[4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]-2-methoxyethanone;2-[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-yl]ethanol

1-[4-[5-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-3-pyridinyl]piperazin-1-yl]ethanone;[(2S)-4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-2-yl]methanol;1-[4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]-2-methoxyethanone;2-[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-yl]ethanol (PubChem CID 159628902) has the molecular formula C73H77F8N23O5 and a molecular weight of 1508.56 g/mol. Its IUPAC name is 1-[4-[5-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-3-pyridinyl]piperazin-1-yl]ethanone;[(2S)-4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-2-yl]methanol;1-[4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]-2-methoxyethanone;2-[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[4-[5-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-3-pyridinyl]piperazin-1-yl]ethanone;[(2S)-4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-2-yl]methanol;1-[4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]-2-methoxyethanone;2-[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-yl]ethanol
PubChem CID159628902
Molecular FormulaC73H77F8N23O5
Molecular Weight1508.56 g/mol
Exact Mass1507.64
IUPAC Name1-[4-[5-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-3-pyridinyl]piperazin-1-yl]ethanone;[(2S)-4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-2-yl]methanol;1-[4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]-2-methoxyethanone;2-[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-yl]ethanol
SMILESCC(=O)N1CCN(c2cncc(-c3cnc4ccc(C(F)F)nn34)c2)CC1.COCC(=O)N1CCN(c2cc(-c3cnc4ccc(C(F)F)nn34)ccn2)CC1.OCCC1CCN(c2cc(-c3cnc4ccc(C(F)F)nn34)ccn2)CC1.OC[C@@H]1CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ccn2)CCN1
InChIInChI=1S/C19H20F2N6O2.C19H21F2N5O.C18H18F2N6O.C17H18F2N6O/c1-29-12-18(28)26-8-6-25(7-9-26)17-10-13(4-5-22-17)15-11-23-16-3-2-14(19(20)21)24-27(15)16;20-19(21)15-1-2-17-23-12-16(26(17)24-15)14-3-7-22-18(11-14)25-8-4-13(5-9-25)6-10-27;1-12(27)24-4-6-25(7-5-24)14-8-13(9-21-10-14)16-11-22-17-3-2-15(18(19)20)23-26(16)17;18-17(19)13-1-2-15-22-8-14(25(15)23-13)11-3-4-21-16(7-11)24-6-5-20-12(9-24)10-26/h2-5,10-11,19H,6-9,12H2,1H3;1-3,7,11-13,19,27H,4-6,8-10H2;2-3,8-11,18H,4-7H2,1H3;1-4,7-8,12,17,20,26H,5-6,9-10H2/t;;;12-/m...0/s1
InChIKeyMOWCCSRUSBQHJN-MTINXTFISA-N
XLogP9.25
TPSA287.62 Ų
H-Bond Donors3
H-Bond Acceptors26
Rotatable Bonds17
Heavy Atoms109
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001508.56
LogP ≤ 59.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1026

Analyze 1-[4-[5-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-3-pyridinyl]piperazin-1-yl]ethanone;[(2S)-4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-2-yl]methanol;1-[4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]-2-methoxyethanone;2-[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-yl]ethanol with MolForge

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Related Compounds

2-[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-yl]ethanol
CID 139357609
N-[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]methanesulfonamide
CID 152594271
N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]methyl]methanesulfonamide
CID 139359352
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
6-(difluoromethyl)-3-[6-[3-(ethylsulfonylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine
CID 146887524
N-[1-[2-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-4-pyridinyl]piperidin-3-yl]acetamide
CID 139359278
3-[2-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridin-5-yl)-4-pyridinyl]-6-chloroimidazo[1,2-b]pyridazine
CID 139358187
N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]cyclopropanecarboxamide
CID 139359424
4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-N-methyl-6-[(3S)-3-methylpiperidin-1-yl]pyridin-2-amine
CID 139359554
6-(difluoromethyl)-3-[6-[3-(1H-imidazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine
CID 139357615
N-[[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]piperidin-3-yl]methyl]methanesulfinamide
CID 153331404
1-[2-chloro-4-[5-fluoro-2-hydroxy-3-[2-[(3S)-3-(hydroxymethyl)piperazin-1-yl]-4-pyridinyl]phenyl]phenyl]-3-methylimidazol-2-one
CID 166165740

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-3-pyridinyl]piperazin-1-yl]ethanone;[(2S)-4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-2-yl]methanol;1-[4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]-2-methoxyethanone;2-[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-yl]ethanol?
The IUPAC name of 1-[4-[5-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-3-pyridinyl]piperazin-1-yl]ethanone;[(2S)-4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-2-yl]methanol;1-[4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]-2-methoxyethanone;2-[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-yl]ethanol (CID 159628902) is 1-[4-[5-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-3-pyridinyl]piperazin-1-yl]ethanone;[(2S)-4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-2-yl]methanol;1-[4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]-2-methoxyethanone;2-[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-yl]ethanol.
What is the SMILES notation for 1-[4-[5-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-3-pyridinyl]piperazin-1-yl]ethanone;[(2S)-4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-2-yl]methanol;1-[4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]-2-methoxyethanone;2-[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-yl]ethanol?
The canonical SMILES for 1-[4-[5-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-3-pyridinyl]piperazin-1-yl]ethanone;[(2S)-4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-2-yl]methanol;1-[4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]-2-methoxyethanone;2-[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-yl]ethanol is CC(=O)N1CCN(c2cncc(-c3cnc4ccc(C(F)F)nn34)c2)CC1.COCC(=O)N1CCN(c2cc(-c3cnc4ccc(C(F)F)nn34)ccn2)CC1.OCCC1CCN(c2cc(-c3cnc4ccc(C(F)F)nn34)ccn2)CC1.OC[C@@H]1CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ccn2)CCN1.
What is the InChIKey of 1-[4-[5-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-3-pyridinyl]piperazin-1-yl]ethanone;[(2S)-4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-2-yl]methanol;1-[4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]-2-methoxyethanone;2-[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-yl]ethanol?
The InChIKey is MOWCCSRUSBQHJN-MTINXTFISA-N. The full InChI is InChI=1S/C19H20F2N6O2.C19H21F2N5O.C18H18F2N6O.C17H18F2N6O/c1-29-12-18(28)26-8-6-25(7-9-26)17-10-13(4-5-22-17)15-11-23-16-3-2-14(19(20)21)24-27(15)16;20-19(21)15-1-2-17-23-12-16(26(17)24-15)14-3-7-22-18(11-14)25-8-4-13(5-9-25)6-10-27;1-12(27)24-4-6-25(7-5-24)14-8-13(9-21-10-14)16-11-22-17-3-2-15(18(19)20)23-26(16)17;18-17(19)13-1-2-15-22-8-14(25(15)23-13)11-3-4-21-16(7-11)24-6-5-20-12(9-24)10-26/h2-5,10-11,19H,6-9,12H2,1H3;1-3,7,11-13,19,27H,4-6,8-10H2;2-3,8-11,18H,4-7H2,1H3;1-4,7-8,12,17,20,26H,5-6,9-10H2/t;;;12-/m...0/s1.
What are the key properties of 1-[4-[5-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-3-pyridinyl]piperazin-1-yl]ethanone;[(2S)-4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-2-yl]methanol;1-[4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]-2-methoxyethanone;2-[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-yl]ethanol?
1-[4-[5-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-3-pyridinyl]piperazin-1-yl]ethanone;[(2S)-4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-2-yl]methanol;1-[4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]-2-methoxyethanone;2-[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-yl]ethanol has a molecular weight of 1508.56 g/mol, XLogP of 9.25, 17 rotatable bonds, 3 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-3-pyridinyl]piperazin-1-yl]ethanone;[(2S)-4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-2-yl]methanol;1-[4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]-2-methoxyethanone;2-[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-yl]ethanol is sourced from PubChem (CID 159628902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).