4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5,5-difluoro-2-methylpiperidin-3-yl]methanol;1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoropiperidin-3-amine;1-[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]ethanamine;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]methanamine

C87H91F14N33O2 — CID 157125171

IUPAC4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5,5-difluoro-2-methylpiperidin-3-yl]methanol;1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoropiperidin-3-amine;1-[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]ethanamine;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]methanamine
SMILESCC(N)C1CCCN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1.CC1C(CO)CC(F)(F)CN1c1cc(-c2cnc3ccc(C(F)F)nn23)ncn1.FC(F)c1ccc2ncc(-c3cc(N4CCOC5CCCCC54)ncn3)n2n1.NC1CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)CCC1(F)F.NCC1CCN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1
InChIInChI=1S/C19H20F2N6O.C18H18F4N6O.C18H21F2N7.C16H15F4N7.C16H17F2N7/c20-19(21)12-5-6-17-22-10-15(27(17)25-12)13-9-18(24-11-23-13)26-7-8-28-16-4-2-1-3-14(16)26;1-10-11(7-29)5-18(21,22)8-27(10)16-4-13(24-9-25-16)14-6-23-15-3-2-12(17(19)20)26-28(14)15;1-11(21)12-3-2-6-26(9-12)17-7-14(23-10-24-17)15-8-22-16-5-4-13(18(19)20)25-27(15)16;17-15(18)9-1-2-13-22-6-11(27(13)25-9)10-5-14(24-8-23-10)26-4-3-16(19,20)12(21)7-26;17-16(18)11-1-2-14-20-7-13(25(14)23-11)12-5-15(22-9-21-12)24-4-3-10(6-19)8-24/h5-6,9-11,14,16,19H,1-4,7-8H2;2-4,6,9-11,17,29H,5,7-8H2,1H3;4-5,7-8,10-12,18H,2-3,6,9,21H2,1H3;1-2,5-6,8,12,15H,3-4,7,21H2;1-2,5,7,9-10,16H,3-4,6,8,19H2
InChIKeyAIKQOGKYNQFAJH-UHFFFAOYSA-N
MW1896.89 g/mol
LogP13.13
Rot. Bonds18

About 4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5,5-difluoro-2-methylpiperidin-3-yl]methanol;1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoropiperidin-3-amine;1-[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]ethanamine;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]methanamine

4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5,5-difluoro-2-methylpiperidin-3-yl]methanol;1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoropiperidin-3-amine;1-[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]ethanamine;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]methanamine (PubChem CID 157125171) has the molecular formula C87H91F14N33O2 and a molecular weight of 1896.89 g/mol. Its IUPAC name is 4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5,5-difluoro-2-methylpiperidin-3-yl]methanol;1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoropiperidin-3-amine;1-[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]ethanamine;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5,5-difluoro-2-methylpiperidin-3-yl]methanol;1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoropiperidin-3-amine;1-[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]ethanamine;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]methanamine
PubChem CID157125171
Molecular FormulaC87H91F14N33O2
Molecular Weight1896.89 g/mol
Exact Mass1895.78
IUPAC Name4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5,5-difluoro-2-methylpiperidin-3-yl]methanol;1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoropiperidin-3-amine;1-[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]ethanamine;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]methanamine
SMILESCC(N)C1CCCN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1.CC1C(CO)CC(F)(F)CN1c1cc(-c2cnc3ccc(C(F)F)nn23)ncn1.FC(F)c1ccc2ncc(-c3cc(N4CCOC5CCCCC54)ncn3)n2n1.NC1CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)CCC1(F)F.NCC1CCN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1
InChIInChI=1S/C19H20F2N6O.C18H18F4N6O.C18H21F2N7.C16H15F4N7.C16H17F2N7/c20-19(21)12-5-6-17-22-10-15(27(17)25-12)13-9-18(24-11-23-13)26-7-8-28-16-4-2-1-3-14(16)26;1-10-11(7-29)5-18(21,22)8-27(10)16-4-13(24-9-25-16)14-6-23-15-3-2-12(17(19)20)26-28(14)15;1-11(21)12-3-2-6-26(9-12)17-7-14(23-10-24-17)15-8-22-16-5-4-13(18(19)20)25-27(15)16;17-15(18)9-1-2-13-22-6-11(27(13)25-9)10-5-14(24-8-23-10)26-4-3-16(19,20)12(21)7-26;17-16(18)11-1-2-14-20-7-13(25(14)23-11)12-5-15(22-9-21-12)24-4-3-10(6-19)8-24/h5-6,9-11,14,16,19H,1-4,7-8H2;2-4,6,9-11,17,29H,5,7-8H2,1H3;4-5,7-8,10-12,18H,2-3,6,9,21H2,1H3;1-2,5-6,8,12,15H,3-4,7,21H2;1-2,5,7,9-10,16H,3-4,6,8,19H2
InChIKeyAIKQOGKYNQFAJH-UHFFFAOYSA-N
XLogP13.13
TPSA403.57 Ų
H-Bond Donors4
H-Bond Acceptors35
Rotatable Bonds18
Heavy Atoms136
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001896.89
LogP ≤ 513.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1035

Analyze 4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5,5-difluoro-2-methylpiperidin-3-yl]methanol;1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoropiperidin-3-amine;1-[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]ethanamine;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]methanamine with MolForge

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Related Compounds

(3S)-1-[5-[6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]pyrrolidin-3-ol
CID 135387886
(3R)-1-[5-[6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]pyrrolidin-3-ol
CID 167366268
6-(4-Methylpiperazin-1-yl)-3-pyridin-4-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine;[4-(2-methyl-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)piperazin-2-yl]methanol
CID 66698036
7-(7-fluoro-3-methylquinoxalin-2-yl)-2-[3-[2-methyl-1-[[7-(3-methylquinoxalin-2-yl)-2-[2-[4-[[7-(3-methylquinoxalin-2-yl)-2-pyrrolidin-1-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]oxan-2-yl]pyrrolidin-1-yl]pyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]propan-2-yl]oxypyrrolidin-1-yl]-N-(oxan-4-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 144537030
bis(1-[4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]morpholin-2-yl]-2-methylpropan-1-amine);2-methyl-1-[4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]propan-1-amine;molecular hydrogen
CID 157225758
[1-[6-[6-(Difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5,5-difluoro-2-methylpiperidin-3-yl]methanol;1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoropiperidin-3-amine;4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-imino-1,4-thiazinane 1-oxide;1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperidin-3-amine;1-[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]ethanamine;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]methanamine
CID 157353946
N-[[(3S,5S)-4,4-difluoro-1-[6-[6-(1-hydroxyethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-ethyl-3-methylpiperazin-2-yl]methyl]methanesulfonamide;bis([4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylmorpholin-2-yl]methanol);6-(difluoromethyl)-3-[6-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;N-[[(2S)-4-[6-[6-(1-hydroxyethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide
CID 157433337
N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methyl-1-propan-2-ylpiperazin-2-yl]methyl]methanesulfonamide;N-[(1S)-1-[(2S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethyl]methanesulfonamide;N-[1-[(2S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethyl]methanesulfonamide;(3R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylic acid;(3R)-1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylic acid
CID 157618405
N-[[(3S,5S)-4,4-difluoro-1-[6-[6-(1-hydroxyethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-ethyl-3-methylpiperazin-2-yl]methyl]methanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-[(sulfamoylamino)methyl]morpholine;6-(difluoromethyl)-3-[6-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;N-[[(2S)-4-[6-[6-(1-hydroxyethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide
CID 157882249
6-(difluoromethyl)-3-[6-[1-(oxan-4-yl)pyrazol-4-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;3-[6-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-b]pyridazine;3-[6-[2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-b]pyridazine;3-[6-[3-methyl-2-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-b]pyridazine;3-[6-[1-(oxan-4-yl)pyrazol-4-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-b]pyridazine
CID 158034812
(3S)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylic acid;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-dimethyl-oxo-lambda6-sulfane;[(3S)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-dimethyl-oxo-lambda6-sulfane;2-[4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethanol;(3S)-1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylic acid;2-[1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]acetonitrile
CID 158067502
2-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazine;bis(N-[[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-5-hydroxypiperidin-3-yl]methyl]methanesulfonamide);8-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-methylsulfonyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine;N-[[(3S,5S)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide
CID 158169558

Frequently Asked Questions

What is the IUPAC name of 4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5,5-difluoro-2-methylpiperidin-3-yl]methanol;1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoropiperidin-3-amine;1-[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]ethanamine;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]methanamine?
The IUPAC name of 4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5,5-difluoro-2-methylpiperidin-3-yl]methanol;1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoropiperidin-3-amine;1-[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]ethanamine;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]methanamine (CID 157125171) is 4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5,5-difluoro-2-methylpiperidin-3-yl]methanol;1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoropiperidin-3-amine;1-[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]ethanamine;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]methanamine.
What is the SMILES notation for 4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5,5-difluoro-2-methylpiperidin-3-yl]methanol;1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoropiperidin-3-amine;1-[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]ethanamine;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]methanamine?
The canonical SMILES for 4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5,5-difluoro-2-methylpiperidin-3-yl]methanol;1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoropiperidin-3-amine;1-[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]ethanamine;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]methanamine is CC(N)C1CCCN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1.CC1C(CO)CC(F)(F)CN1c1cc(-c2cnc3ccc(C(F)F)nn23)ncn1.FC(F)c1ccc2ncc(-c3cc(N4CCOC5CCCCC54)ncn3)n2n1.NC1CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)CCC1(F)F.NCC1CCN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1.
What is the InChIKey of 4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5,5-difluoro-2-methylpiperidin-3-yl]methanol;1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoropiperidin-3-amine;1-[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]ethanamine;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]methanamine?
The InChIKey is AIKQOGKYNQFAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N6O.C18H18F4N6O.C18H21F2N7.C16H15F4N7.C16H17F2N7/c20-19(21)12-5-6-17-22-10-15(27(17)25-12)13-9-18(24-11-23-13)26-7-8-28-16-4-2-1-3-14(16)26;1-10-11(7-29)5-18(21,22)8-27(10)16-4-13(24-9-25-16)14-6-23-15-3-2-12(17(19)20)26-28(14)15;1-11(21)12-3-2-6-26(9-12)17-7-14(23-10-24-17)15-8-22-16-5-4-13(18(19)20)25-27(15)16;17-15(18)9-1-2-13-22-6-11(27(13)25-9)10-5-14(24-8-23-10)26-4-3-16(19,20)12(21)7-26;17-16(18)11-1-2-14-20-7-13(25(14)23-11)12-5-15(22-9-21-12)24-4-3-10(6-19)8-24/h5-6,9-11,14,16,19H,1-4,7-8H2;2-4,6,9-11,17,29H,5,7-8H2,1H3;4-5,7-8,10-12,18H,2-3,6,9,21H2,1H3;1-2,5-6,8,12,15H,3-4,7,21H2;1-2,5,7,9-10,16H,3-4,6,8,19H2.
What are the key properties of 4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5,5-difluoro-2-methylpiperidin-3-yl]methanol;1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoropiperidin-3-amine;1-[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]ethanamine;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]methanamine?
4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5,5-difluoro-2-methylpiperidin-3-yl]methanol;1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoropiperidin-3-amine;1-[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]ethanamine;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]methanamine has a molecular weight of 1896.89 g/mol, XLogP of 13.13, 18 rotatable bonds, 4 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5,5-difluoro-2-methylpiperidin-3-yl]methanol;1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoropiperidin-3-amine;1-[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]ethanamine;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 157125171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).