N-[[(2S,3R)-1-cyclopropyl-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;N-[[(2R,3S)-1-cyclopropyl-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;(3,5-dimethyl-1,2-oxazol-4-yl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(4-methyl-1,2,5-oxadiazol-3-yl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;3-[4-[(3R)-4-[[(2R)-6-oxaspiro[2.5]octan-2-yl]methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine

C119H124F13N41O9S2 — CID 158304071

IUPACN-[[(2S,3R)-1-cyclopropyl-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;N-[[(2R,3S)-1-cyclopropyl-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;(3,5-dimethyl-1,2-oxazol-4-yl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(4-methyl-1,2,5-oxadiazol-3-yl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;3-[4-[(3R)-4-[[(2R)-6-oxaspiro[2.5]octan-2-yl]methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESC[C@@H]1[C@H](CNS(C)(=O)=O)N(C2CC2)CCN1c1ccnc(-c2cnc3ccc(C(F)F)cn23)n1.C[C@H]1[C@@H](CNS(C)(=O)=O)N(C2CC2)CCN1c1ccnc(-c2cnc3ccc(C(F)F)cn23)n1.Cc1noc(C)c1C(=O)N1CCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CC1c1cn[nH]c1.Cc1nonc1C(=O)N1CCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CC1c1cn[nH]c1.FC(F)(F)c1ccc2ncc(-c3nccc(N4CCN(C[C@@H]5CC56CCOCC6)[C@H](c5cn[nH]c5)C4)n3)n2c1
InChIInChI=1S/C27H29F3N8O.C25H22F3N9O2.C23H19F3N10O2.2C22H27F2N7O2S/c28-27(29,30)19-1-2-23-32-14-21(38(23)16-19)25-31-6-3-24(35-25)37-8-7-36(22(17-37)18-12-33-34-13-18)15-20-11-26(20)4-9-39-10-5-26;1-14-22(15(2)39-34-14)24(38)36-8-7-35(13-19(36)16-9-31-32-10-16)21-5-6-29-23(33-21)18-11-30-20-4-3-17(12-37(18)20)25(26,27)28;1-13-20(33-38-32-13)22(37)35-7-6-34(12-17(35)14-8-29-30-9-14)19-4-5-27-21(31-19)16-10-28-18-3-2-15(11-36(16)18)23(24,25)26;2*1-14-17(12-27-34(2,32)33)30(16-4-5-16)10-9-29(14)20-7-8-25-22(28-20)18-11-26-19-6-3-15(21(23)24)13-31(18)19/h1-3,6,12-14,16,20,22H,4-5,7-11,15,17H2,(H,33,34);3-6,9-12,19H,7-8,13H2,1-2H3,(H,31,32);2-5,8-11,17H,6-7,12H2,1H3,(H,29,30);2*3,6-8,11,13-14,16-17,21,27H,4-5,9-10,12H2,1-2H3/t20-,22-;;;2*14-,17+/m0..10/s1
InChIKeyGMWAPMFCQCOLRG-MWYFTACQSA-N
MW2583.69 g/mol
LogP15.62
Rot. Bonds27

About N-[[(2S,3R)-1-cyclopropyl-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;N-[[(2R,3S)-1-cyclopropyl-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;(3,5-dimethyl-1,2-oxazol-4-yl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(4-methyl-1,2,5-oxadiazol-3-yl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;3-[4-[(3R)-4-[[(2R)-6-oxaspiro[2.5]octan-2-yl]methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine

N-[[(2S,3R)-1-cyclopropyl-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;N-[[(2R,3S)-1-cyclopropyl-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;(3,5-dimethyl-1,2-oxazol-4-yl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(4-methyl-1,2,5-oxadiazol-3-yl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;3-[4-[(3R)-4-[[(2R)-6-oxaspiro[2.5]octan-2-yl]methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine (PubChem CID 158304071) has the molecular formula C119H124F13N41O9S2 and a molecular weight of 2583.69 g/mol. Its IUPAC name is N-[[(2S,3R)-1-cyclopropyl-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;N-[[(2R,3S)-1-cyclopropyl-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;(3,5-dimethyl-1,2-oxazol-4-yl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(4-methyl-1,2,5-oxadiazol-3-yl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;3-[4-[(3R)-4-[[(2R)-6-oxaspiro[2.5]octan-2-yl]methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound NameN-[[(2S,3R)-1-cyclopropyl-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;N-[[(2R,3S)-1-cyclopropyl-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;(3,5-dimethyl-1,2-oxazol-4-yl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(4-methyl-1,2,5-oxadiazol-3-yl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;3-[4-[(3R)-4-[[(2R)-6-oxaspiro[2.5]octan-2-yl]methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
PubChem CID158304071
Molecular FormulaC119H124F13N41O9S2
Molecular Weight2583.69 g/mol
Exact Mass2581.97
IUPAC NameN-[[(2S,3R)-1-cyclopropyl-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;N-[[(2R,3S)-1-cyclopropyl-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;(3,5-dimethyl-1,2-oxazol-4-yl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(4-methyl-1,2,5-oxadiazol-3-yl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;3-[4-[(3R)-4-[[(2R)-6-oxaspiro[2.5]octan-2-yl]methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESC[C@@H]1[C@H](CNS(C)(=O)=O)N(C2CC2)CCN1c1ccnc(-c2cnc3ccc(C(F)F)cn23)n1.C[C@H]1[C@@H](CNS(C)(=O)=O)N(C2CC2)CCN1c1ccnc(-c2cnc3ccc(C(F)F)cn23)n1.Cc1noc(C)c1C(=O)N1CCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CC1c1cn[nH]c1.Cc1nonc1C(=O)N1CCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CC1c1cn[nH]c1.FC(F)(F)c1ccc2ncc(-c3nccc(N4CCN(C[C@@H]5CC56CCOCC6)[C@H](c5cn[nH]c5)C4)n3)n2c1
InChIInChI=1S/C27H29F3N8O.C25H22F3N9O2.C23H19F3N10O2.2C22H27F2N7O2S/c28-27(29,30)19-1-2-23-32-14-21(38(23)16-19)25-31-6-3-24(35-25)37-8-7-36(22(17-37)18-12-33-34-13-18)15-20-11-26(20)4-9-39-10-5-26;1-14-22(15(2)39-34-14)24(38)36-8-7-35(13-19(36)16-9-31-32-10-16)21-5-6-29-23(33-21)18-11-30-20-4-3-17(12-37(18)20)25(26,27)28;1-13-20(33-38-32-13)22(37)35-7-6-34(12-17(35)14-8-29-30-9-14)19-4-5-27-21(31-19)16-10-28-18-3-2-15(11-36(16)18)23(24,25)26;2*1-14-17(12-27-34(2,32)33)30(16-4-5-16)10-9-29(14)20-7-8-25-22(28-20)18-11-26-19-6-3-15(21(23)24)13-31(18)19/h1-3,6,12-14,16,20,22H,4-5,7-11,15,17H2,(H,33,34);3-6,9-12,19H,7-8,13H2,1-2H3,(H,31,32);2-5,8-11,17H,6-7,12H2,1H3,(H,29,30);2*3,6-8,11,13-14,16-17,21,27H,4-5,9-10,12H2,1-2H3/t20-,22-;;;2*14-,17+/m0..10/s1
InChIKeyGMWAPMFCQCOLRG-MWYFTACQSA-N
XLogP15.62
TPSA534.50 Ų
H-Bond Donors5
H-Bond Acceptors43
Rotatable Bonds27
Heavy Atoms184
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002583.69
LogP ≤ 515.62
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1043

Analyze N-[[(2S,3R)-1-cyclopropyl-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;N-[[(2R,3S)-1-cyclopropyl-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;(3,5-dimethyl-1,2-oxazol-4-yl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(4-methyl-1,2,5-oxadiazol-3-yl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;3-[4-[(3R)-4-[[(2R)-6-oxaspiro[2.5]octan-2-yl]methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine with MolForge

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Related Compounds

1H-imidazol-5-yl-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(1-methylimidazol-4-yl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;2-methylsulfonyl-8-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-oxa-2,8-diazaspiro[3.5]nonane;1,2-oxazol-4-yl-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 157066325
(2R,3R)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-1-cyclopropyl-3-methylpiperazine-2-carboxamide;(3S)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-1-cyclopropyl-3-methylpiperazine-2-carboxamide;(5-methyl-1,2-oxazol-4-yl)-[(2R)-2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(5-methyl-1,2-oxazol-4-yl)-[(2S)-2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;3-[2-[(3S)-4-[[(3S)-oxan-3-yl]methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;1-[2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]piperazine-1-carbonyl]cyclopropane-1-carbonitrile
CID 159328444
dimethyl-[(3S,5R)-5-(5-methyl-1H-pyrazol-4-yl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-oxo-lambda6-sulfane;dimethyl-[(3R,5R)-5-(5-methyl-1H-pyrazol-4-yl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-oxo-lambda6-sulfane;(2R,6R)-2-methyl-6-(5-methyl-1,2-oxazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine;(2S,6R)-2-methyl-6-(5-methyl-1,2-oxazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine;(2S,6S)-2-methyl-6-(5-methyl-1,2-oxazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine
CID 161154457
3-[4-[4-[(2,2-dimethylcyclopropyl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;(1,3-dimethylpyrazol-4-yl)-[(2R)-2-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(1,3-dimethylpyrazol-4-yl)-[(2S)-2-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;3-[4-[4-(6-oxaspiro[2.5]octan-2-ylmethyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;N-[5-(trifluoromethyl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanesulfonamide
CID 161281322

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,3R)-1-cyclopropyl-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;N-[[(2R,3S)-1-cyclopropyl-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;(3,5-dimethyl-1,2-oxazol-4-yl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(4-methyl-1,2,5-oxadiazol-3-yl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;3-[4-[(3R)-4-[[(2R)-6-oxaspiro[2.5]octan-2-yl]methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
The IUPAC name of N-[[(2S,3R)-1-cyclopropyl-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;N-[[(2R,3S)-1-cyclopropyl-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;(3,5-dimethyl-1,2-oxazol-4-yl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(4-methyl-1,2,5-oxadiazol-3-yl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;3-[4-[(3R)-4-[[(2R)-6-oxaspiro[2.5]octan-2-yl]methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine (CID 158304071) is N-[[(2S,3R)-1-cyclopropyl-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;N-[[(2R,3S)-1-cyclopropyl-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;(3,5-dimethyl-1,2-oxazol-4-yl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(4-methyl-1,2,5-oxadiazol-3-yl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;3-[4-[(3R)-4-[[(2R)-6-oxaspiro[2.5]octan-2-yl]methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for N-[[(2S,3R)-1-cyclopropyl-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;N-[[(2R,3S)-1-cyclopropyl-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;(3,5-dimethyl-1,2-oxazol-4-yl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(4-methyl-1,2,5-oxadiazol-3-yl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;3-[4-[(3R)-4-[[(2R)-6-oxaspiro[2.5]octan-2-yl]methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for N-[[(2S,3R)-1-cyclopropyl-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;N-[[(2R,3S)-1-cyclopropyl-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;(3,5-dimethyl-1,2-oxazol-4-yl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(4-methyl-1,2,5-oxadiazol-3-yl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;3-[4-[(3R)-4-[[(2R)-6-oxaspiro[2.5]octan-2-yl]methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine is C[C@@H]1[C@H](CNS(C)(=O)=O)N(C2CC2)CCN1c1ccnc(-c2cnc3ccc(C(F)F)cn23)n1.C[C@H]1[C@@H](CNS(C)(=O)=O)N(C2CC2)CCN1c1ccnc(-c2cnc3ccc(C(F)F)cn23)n1.Cc1noc(C)c1C(=O)N1CCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CC1c1cn[nH]c1.Cc1nonc1C(=O)N1CCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CC1c1cn[nH]c1.FC(F)(F)c1ccc2ncc(-c3nccc(N4CCN(C[C@@H]5CC56CCOCC6)[C@H](c5cn[nH]c5)C4)n3)n2c1.
What is the InChIKey of N-[[(2S,3R)-1-cyclopropyl-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;N-[[(2R,3S)-1-cyclopropyl-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;(3,5-dimethyl-1,2-oxazol-4-yl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(4-methyl-1,2,5-oxadiazol-3-yl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;3-[4-[(3R)-4-[[(2R)-6-oxaspiro[2.5]octan-2-yl]methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
The InChIKey is GMWAPMFCQCOLRG-MWYFTACQSA-N. The full InChI is InChI=1S/C27H29F3N8O.C25H22F3N9O2.C23H19F3N10O2.2C22H27F2N7O2S/c28-27(29,30)19-1-2-23-32-14-21(38(23)16-19)25-31-6-3-24(35-25)37-8-7-36(22(17-37)18-12-33-34-13-18)15-20-11-26(20)4-9-39-10-5-26;1-14-22(15(2)39-34-14)24(38)36-8-7-35(13-19(36)16-9-31-32-10-16)21-5-6-29-23(33-21)18-11-30-20-4-3-17(12-37(18)20)25(26,27)28;1-13-20(33-38-32-13)22(37)35-7-6-34(12-17(35)14-8-29-30-9-14)19-4-5-27-21(31-19)16-10-28-18-3-2-15(11-36(16)18)23(24,25)26;2*1-14-17(12-27-34(2,32)33)30(16-4-5-16)10-9-29(14)20-7-8-25-22(28-20)18-11-26-19-6-3-15(21(23)24)13-31(18)19/h1-3,6,12-14,16,20,22H,4-5,7-11,15,17H2,(H,33,34);3-6,9-12,19H,7-8,13H2,1-2H3,(H,31,32);2-5,8-11,17H,6-7,12H2,1H3,(H,29,30);2*3,6-8,11,13-14,16-17,21,27H,4-5,9-10,12H2,1-2H3/t20-,22-;;;2*14-,17+/m0..10/s1.
What are the key properties of N-[[(2S,3R)-1-cyclopropyl-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;N-[[(2R,3S)-1-cyclopropyl-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;(3,5-dimethyl-1,2-oxazol-4-yl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(4-methyl-1,2,5-oxadiazol-3-yl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;3-[4-[(3R)-4-[[(2R)-6-oxaspiro[2.5]octan-2-yl]methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
N-[[(2S,3R)-1-cyclopropyl-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;N-[[(2R,3S)-1-cyclopropyl-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;(3,5-dimethyl-1,2-oxazol-4-yl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(4-methyl-1,2,5-oxadiazol-3-yl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;3-[4-[(3R)-4-[[(2R)-6-oxaspiro[2.5]octan-2-yl]methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine has a molecular weight of 2583.69 g/mol, XLogP of 15.62, 27 rotatable bonds, 5 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,3R)-1-cyclopropyl-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;N-[[(2R,3S)-1-cyclopropyl-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;(3,5-dimethyl-1,2-oxazol-4-yl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(4-methyl-1,2,5-oxadiazol-3-yl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;3-[4-[(3R)-4-[[(2R)-6-oxaspiro[2.5]octan-2-yl]methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 158304071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).