(2R,6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;(2S,6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;(2R,6S)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;(2S,6S)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide

C106H105F15N34O5 — CID 160778135

IUPAC(2R,6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;(2S,6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;(2R,6S)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;(2S,6S)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide
SMILESCc1nn(C)cc1[C@@H]1CN(c2nccc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C[C@@H](C)O1.Cc1nn(C)cc1[C@@H]1CN(c2nccc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C[C@H](C)O1.Cc1nn(C)cc1[C@H]1CN(c2nccc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C[C@@H](C)O1.Cc1nn(C)cc1[C@H]1CN(c2nccc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C[C@H](C)O1.NC(=O)[C@H]1CCCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C1
InChIInChI=1S/4C22H22F3N7O.C18H17F3N6O/c4*1-13-9-31(12-19(33-13)16-11-30(3)29-14(16)2)21-26-7-6-17(28-21)18-8-27-20-5-4-15(10-32(18)20)22(23,24)25;19-18(20,21)12-3-4-14-24-8-13(27(14)10-12)17-23-6-5-15(25-17)26-7-1-2-11(9-26)16(22)28/h4*4-8,10-11,13,19H,9,12H2,1-3H3;3-6,8,10-11H,1-2,7,9H2,(H2,22,28)/t2*13-,19+;2*13-,19-;11-/m10100/s1
InChIKeySAFLBIHMFJDQML-TVIPAKROSA-N
MW2220.21 g/mol
LogP17.79
Rot. Bonds15

About (2R,6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;(2S,6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;(2R,6S)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;(2S,6S)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide

(2R,6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;(2S,6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;(2R,6S)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;(2S,6S)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide (PubChem CID 160778135) has the molecular formula C106H105F15N34O5 and a molecular weight of 2220.21 g/mol. Its IUPAC name is (2R,6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;(2S,6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;(2R,6S)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;(2S,6S)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(2R,6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;(2S,6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;(2R,6S)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;(2S,6S)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide
PubChem CID160778135
Molecular FormulaC106H105F15N34O5
Molecular Weight2220.21 g/mol
Exact Mass2218.88
IUPAC Name(2R,6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;(2S,6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;(2R,6S)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;(2S,6S)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide
SMILESCc1nn(C)cc1[C@@H]1CN(c2nccc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C[C@@H](C)O1.Cc1nn(C)cc1[C@@H]1CN(c2nccc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C[C@H](C)O1.Cc1nn(C)cc1[C@H]1CN(c2nccc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C[C@@H](C)O1.Cc1nn(C)cc1[C@H]1CN(c2nccc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C[C@H](C)O1.NC(=O)[C@H]1CCCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C1
InChIInChI=1S/4C22H22F3N7O.C18H17F3N6O/c4*1-13-9-31(12-19(33-13)16-11-30(3)29-14(16)2)21-26-7-6-17(28-21)18-8-27-20-5-4-15(10-32(18)20)22(23,24)25;19-18(20,21)12-3-4-14-24-8-13(27(14)10-12)17-23-6-5-15(25-17)26-7-1-2-11(9-26)16(22)28/h4*4-8,10-11,13,19H,9,12H2,1-3H3;3-6,8,10-11H,1-2,7,9H2,(H2,22,28)/t2*13-,19+;2*13-,19-;11-/m10100/s1
InChIKeySAFLBIHMFJDQML-TVIPAKROSA-N
XLogP17.79
TPSA382.89 Ų
H-Bond Donors1
H-Bond Acceptors38
Rotatable Bonds15
Heavy Atoms160
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002220.21
LogP ≤ 517.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1038

Analyze (2R,6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;(2S,6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;(2R,6S)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;(2S,6S)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide with MolForge

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Related Compounds

(2S,6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine
CID 139344621
(2R,6S)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine
CID 139344707
(2S,6S)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine
CID 139344775
(2R)-2-(1,3-dimethylpyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine
CID 139365211
(2R,6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine
CID 139344752
(2R)-2-(1,3-dimethylpyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;ethene
CID 153331661
2-methyl-6-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;(2S,6R)-2-methyl-6-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine
CID 156692591
N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-methylpiperidin-3-yl]methyl]methanesulfonamide;1-[3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-1-yl]ethanone;2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]morpholine;N-[[(2S)-4-[4-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]morpholin-2-yl]methyl]methanesulfonamide;1-[4-[4-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]ethanone
CID 157314364
(2R,6R)-4-[2-[7-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine;(2S,6R)-4-[2-[7-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine;3-[4-[3-fluoro-5-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;2-methyl-6-(5-methyl-1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine;3-[4-[(2S,3R)-2-methyl-4-(oxetan-3-yl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 157326717
(2R,6S)-4-[4-(6-chloroimidazo[1,2-a]pyridin-3-yl)-5-methylpyrimidin-2-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine;(2S,6R)-4-[4-(6-chloroimidazo[1,2-a]pyridin-3-yl)-5-methylpyrimidin-2-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine;5,5-difluoro-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide;5,5-difluoro-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylic acid;6-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide;6-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylic acid
CID 157381261
cyclopropyl-[(2R,6S)-2,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(3,3-difluorocyclobutyl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;N-[(1S)-1-[(2R)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethyl]methanesulfonamide;N-[(1R)-1-[(2S)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethyl]methanesulfonamide;N-[(1R)-1-[(2R)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethyl]methanesulfonamide
CID 157421507
N-[[(3S,5S)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;[(3S,5R)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]imino-dimethyl-oxo-lambda6-sulfane;N-[[(2S)-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;1-[4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone;4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-2-(1H-pyrazol-4-yl)morpholine
CID 157473529

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;(2S,6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;(2R,6S)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;(2S,6S)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide?
The IUPAC name of (2R,6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;(2S,6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;(2R,6S)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;(2S,6S)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide (CID 160778135) is (2R,6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;(2S,6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;(2R,6S)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;(2S,6S)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for (2R,6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;(2S,6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;(2R,6S)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;(2S,6S)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for (2R,6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;(2S,6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;(2R,6S)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;(2S,6S)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide is Cc1nn(C)cc1[C@@H]1CN(c2nccc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C[C@@H](C)O1.Cc1nn(C)cc1[C@@H]1CN(c2nccc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C[C@H](C)O1.Cc1nn(C)cc1[C@H]1CN(c2nccc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C[C@@H](C)O1.Cc1nn(C)cc1[C@H]1CN(c2nccc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C[C@H](C)O1.NC(=O)[C@H]1CCCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C1.
What is the InChIKey of (2R,6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;(2S,6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;(2R,6S)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;(2S,6S)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide?
The InChIKey is SAFLBIHMFJDQML-TVIPAKROSA-N. The full InChI is InChI=1S/4C22H22F3N7O.C18H17F3N6O/c4*1-13-9-31(12-19(33-13)16-11-30(3)29-14(16)2)21-26-7-6-17(28-21)18-8-27-20-5-4-15(10-32(18)20)22(23,24)25;19-18(20,21)12-3-4-14-24-8-13(27(14)10-12)17-23-6-5-15(25-17)26-7-1-2-11(9-26)16(22)28/h4*4-8,10-11,13,19H,9,12H2,1-3H3;3-6,8,10-11H,1-2,7,9H2,(H2,22,28)/t2*13-,19+;2*13-,19-;11-/m10100/s1.
What are the key properties of (2R,6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;(2S,6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;(2R,6S)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;(2S,6S)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide?
(2R,6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;(2S,6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;(2R,6S)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;(2S,6S)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide has a molecular weight of 2220.21 g/mol, XLogP of 17.79, 15 rotatable bonds, 1 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;(2S,6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;(2R,6S)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;(2S,6S)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 160778135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).