N-[[(2R,3S)-1-cyclopropyl-3-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]piperazin-2-yl]methyl]methanesulfonamide;N-[[(2S,3R)-1-cyclopropyl-3-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]piperazin-2-yl]methyl]methanesulfonamide;3-[2-[(3R)-4-[[(3S)-oxan-3-yl]methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[2-[(3R)-4-[[(3R)-oxan-3-yl]methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[2-[(3S)-4-[[(3R)-oxan-3-yl]methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine

C119H133F15N38O7S2 — CID 158175935

IUPACN-[[(2R,3S)-1-cyclopropyl-3-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]piperazin-2-yl]methyl]methanesulfonamide;N-[[(2S,3R)-1-cyclopropyl-3-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]piperazin-2-yl]methyl]methanesulfonamide;3-[2-[(3R)-4-[[(3S)-oxan-3-yl]methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[2-[(3R)-4-[[(3R)-oxan-3-yl]methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[2-[(3S)-4-[[(3R)-oxan-3-yl]methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESC[C@@H]1[C@H](CNS(C)(=O)=O)N(C2CC2)CCN1c1nccc(-c2cnc3ccc(C(F)(F)F)cn23)n1.C[C@H]1[C@@H](CNS(C)(=O)=O)N(C2CC2)CCN1c1nccc(-c2cnc3ccc(C(F)(F)F)cn23)n1.FC(F)(F)c1ccc2ncc(-c3ccnc(N4CCN(C[C@@H]5CCCOC5)[C@H](c5cn[nH]c5)C4)n3)n2c1.FC(F)(F)c1ccc2ncc(-c3ccnc(N4CCN(C[C@H]5CCCOC5)[C@@H](c5cn[nH]c5)C4)n3)n2c1.FC(F)(F)c1ccc2ncc(-c3ccnc(N4CCN(C[C@H]5CCCOC5)[C@H](c5cn[nH]c5)C4)n3)n2c1
InChIInChI=1S/3C25H27F3N8O.2C22H26F3N7O2S/c3*26-25(27,28)19-3-4-23-30-12-21(36(23)14-19)20-5-6-29-24(33-20)35-8-7-34(13-17-2-1-9-37-16-17)22(15-35)18-10-31-32-11-18;2*1-14-18(12-28-35(2,33)34)31(16-4-5-16)10-9-30(14)21-26-8-7-17(29-21)19-11-27-20-6-3-15(13-32(19)20)22(23,24)25/h3*3-6,10-12,14,17,22H,1-2,7-9,13,15-16H2,(H,31,32);2*3,6-8,11,13-14,16,18,28H,4-5,9-10,12H2,1-2H3/t17-,22+;2*17-,22-;2*14-,18+/m11010/s1
InChIKeyFXZPNTPPNCAPSV-DFYMQBCASA-N
MW2556.74 g/mol
LogP16.27
Rot. Bonds27

About N-[[(2R,3S)-1-cyclopropyl-3-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]piperazin-2-yl]methyl]methanesulfonamide;N-[[(2S,3R)-1-cyclopropyl-3-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]piperazin-2-yl]methyl]methanesulfonamide;3-[2-[(3R)-4-[[(3S)-oxan-3-yl]methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[2-[(3R)-4-[[(3R)-oxan-3-yl]methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[2-[(3S)-4-[[(3R)-oxan-3-yl]methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine

N-[[(2R,3S)-1-cyclopropyl-3-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]piperazin-2-yl]methyl]methanesulfonamide;N-[[(2S,3R)-1-cyclopropyl-3-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]piperazin-2-yl]methyl]methanesulfonamide;3-[2-[(3R)-4-[[(3S)-oxan-3-yl]methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[2-[(3R)-4-[[(3R)-oxan-3-yl]methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[2-[(3S)-4-[[(3R)-oxan-3-yl]methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine (PubChem CID 158175935) has the molecular formula C119H133F15N38O7S2 and a molecular weight of 2556.74 g/mol. Its IUPAC name is N-[[(2R,3S)-1-cyclopropyl-3-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]piperazin-2-yl]methyl]methanesulfonamide;N-[[(2S,3R)-1-cyclopropyl-3-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]piperazin-2-yl]methyl]methanesulfonamide;3-[2-[(3R)-4-[[(3S)-oxan-3-yl]methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[2-[(3R)-4-[[(3R)-oxan-3-yl]methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[2-[(3S)-4-[[(3R)-oxan-3-yl]methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound NameN-[[(2R,3S)-1-cyclopropyl-3-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]piperazin-2-yl]methyl]methanesulfonamide;N-[[(2S,3R)-1-cyclopropyl-3-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]piperazin-2-yl]methyl]methanesulfonamide;3-[2-[(3R)-4-[[(3S)-oxan-3-yl]methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[2-[(3R)-4-[[(3R)-oxan-3-yl]methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[2-[(3S)-4-[[(3R)-oxan-3-yl]methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
PubChem CID158175935
Molecular FormulaC119H133F15N38O7S2
Molecular Weight2556.74 g/mol
Exact Mass2555.04
IUPAC NameN-[[(2R,3S)-1-cyclopropyl-3-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]piperazin-2-yl]methyl]methanesulfonamide;N-[[(2S,3R)-1-cyclopropyl-3-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]piperazin-2-yl]methyl]methanesulfonamide;3-[2-[(3R)-4-[[(3S)-oxan-3-yl]methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[2-[(3R)-4-[[(3R)-oxan-3-yl]methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[2-[(3S)-4-[[(3R)-oxan-3-yl]methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESC[C@@H]1[C@H](CNS(C)(=O)=O)N(C2CC2)CCN1c1nccc(-c2cnc3ccc(C(F)(F)F)cn23)n1.C[C@H]1[C@@H](CNS(C)(=O)=O)N(C2CC2)CCN1c1nccc(-c2cnc3ccc(C(F)(F)F)cn23)n1.FC(F)(F)c1ccc2ncc(-c3ccnc(N4CCN(C[C@@H]5CCCOC5)[C@H](c5cn[nH]c5)C4)n3)n2c1.FC(F)(F)c1ccc2ncc(-c3ccnc(N4CCN(C[C@H]5CCCOC5)[C@@H](c5cn[nH]c5)C4)n3)n2c1.FC(F)(F)c1ccc2ncc(-c3ccnc(N4CCN(C[C@H]5CCCOC5)[C@H](c5cn[nH]c5)C4)n3)n2c1
InChIInChI=1S/3C25H27F3N8O.2C22H26F3N7O2S/c3*26-25(27,28)19-3-4-23-30-12-21(36(23)14-19)20-5-6-29-24(33-20)35-8-7-34(13-17-2-1-9-37-16-17)22(15-35)18-10-31-32-11-18;2*1-14-18(12-28-35(2,33)34)31(16-4-5-16)10-9-30(14)21-26-8-7-17(29-21)19-11-27-20-6-3-15(13-32(19)20)22(23,24)25/h3*3-6,10-12,14,17,22H,1-2,7-9,13,15-16H2,(H,31,32);2*3,6-8,11,13-14,16,18,28H,4-5,9-10,12H2,1-2H3/t17-,22+;2*17-,22-;2*14-,18+/m11010/s1
InChIKeyFXZPNTPPNCAPSV-DFYMQBCASA-N
XLogP16.27
TPSA453.87 Ų
H-Bond Donors5
H-Bond Acceptors40
Rotatable Bonds27
Heavy Atoms181
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002556.74
LogP ≤ 516.27
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1040

Analyze N-[[(2R,3S)-1-cyclopropyl-3-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]piperazin-2-yl]methyl]methanesulfonamide;N-[[(2S,3R)-1-cyclopropyl-3-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]piperazin-2-yl]methyl]methanesulfonamide;3-[2-[(3R)-4-[[(3S)-oxan-3-yl]methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[2-[(3R)-4-[[(3R)-oxan-3-yl]methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[2-[(3S)-4-[[(3R)-oxan-3-yl]methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine with MolForge

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Launch Full Analysis

Related Compounds

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
CID 139344405
3-[2-[(3S)-4-[[(3R)-oxan-3-yl]methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 139344501
3-[2-[(3R)-4-[[(3S)-oxan-3-yl]methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 139344612
3-[2-[(3R)-4-[[(3R)-oxan-3-yl]methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 139344672
3-[2-[4-(oxan-3-ylmethyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 139344407
3-[4-[4-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 139344424
N-[(Z)-2-[5-[2-[3-(2-ethoxyethyl)-1-(trifluoromethylsulfonyl)azetidin-3-yl]-1H-pyrazol-2-ium-4-yl]imidazo[1,2-c]pyrimidin-7-yl]-3-methyliminoprop-1-enyl]-3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]cyclopentan-1-amine
CID 145561197
N-[[(2R,3S)-1-cyclopropyl-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]-1-[3-[6-[(2R,3S)-4-cyclopropyl-3-(methanesulfonamidomethyl)-2-methylpiperazin-1-yl]pyrimidin-4-yl]-6-(difluoromethyl)imidazo[1,2-b]pyridazin-8-yl]methanesulfonamide
CID 153331362
3-[2-[4-(oxan-3-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;1H-pyrazole
CID 153331603
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
6-chloro-7-fluoro-3-[4-[3-(1H-imidazol-5-yl)-2,5-dimethylpiperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine;N-[[(3S,5S)-1-[4-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;3-[4-[(2R,3S,5R)-2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[3-methyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 157341138

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S)-1-cyclopropyl-3-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]piperazin-2-yl]methyl]methanesulfonamide;N-[[(2S,3R)-1-cyclopropyl-3-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]piperazin-2-yl]methyl]methanesulfonamide;3-[2-[(3R)-4-[[(3S)-oxan-3-yl]methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[2-[(3R)-4-[[(3R)-oxan-3-yl]methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[2-[(3S)-4-[[(3R)-oxan-3-yl]methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
The IUPAC name of N-[[(2R,3S)-1-cyclopropyl-3-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]piperazin-2-yl]methyl]methanesulfonamide;N-[[(2S,3R)-1-cyclopropyl-3-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]piperazin-2-yl]methyl]methanesulfonamide;3-[2-[(3R)-4-[[(3S)-oxan-3-yl]methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[2-[(3R)-4-[[(3R)-oxan-3-yl]methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[2-[(3S)-4-[[(3R)-oxan-3-yl]methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine (CID 158175935) is N-[[(2R,3S)-1-cyclopropyl-3-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]piperazin-2-yl]methyl]methanesulfonamide;N-[[(2S,3R)-1-cyclopropyl-3-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]piperazin-2-yl]methyl]methanesulfonamide;3-[2-[(3R)-4-[[(3S)-oxan-3-yl]methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[2-[(3R)-4-[[(3R)-oxan-3-yl]methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[2-[(3S)-4-[[(3R)-oxan-3-yl]methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for N-[[(2R,3S)-1-cyclopropyl-3-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]piperazin-2-yl]methyl]methanesulfonamide;N-[[(2S,3R)-1-cyclopropyl-3-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]piperazin-2-yl]methyl]methanesulfonamide;3-[2-[(3R)-4-[[(3S)-oxan-3-yl]methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[2-[(3R)-4-[[(3R)-oxan-3-yl]methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[2-[(3S)-4-[[(3R)-oxan-3-yl]methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for N-[[(2R,3S)-1-cyclopropyl-3-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]piperazin-2-yl]methyl]methanesulfonamide;N-[[(2S,3R)-1-cyclopropyl-3-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]piperazin-2-yl]methyl]methanesulfonamide;3-[2-[(3R)-4-[[(3S)-oxan-3-yl]methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[2-[(3R)-4-[[(3R)-oxan-3-yl]methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[2-[(3S)-4-[[(3R)-oxan-3-yl]methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine is C[C@@H]1[C@H](CNS(C)(=O)=O)N(C2CC2)CCN1c1nccc(-c2cnc3ccc(C(F)(F)F)cn23)n1.C[C@H]1[C@@H](CNS(C)(=O)=O)N(C2CC2)CCN1c1nccc(-c2cnc3ccc(C(F)(F)F)cn23)n1.FC(F)(F)c1ccc2ncc(-c3ccnc(N4CCN(C[C@@H]5CCCOC5)[C@H](c5cn[nH]c5)C4)n3)n2c1.FC(F)(F)c1ccc2ncc(-c3ccnc(N4CCN(C[C@H]5CCCOC5)[C@@H](c5cn[nH]c5)C4)n3)n2c1.FC(F)(F)c1ccc2ncc(-c3ccnc(N4CCN(C[C@H]5CCCOC5)[C@H](c5cn[nH]c5)C4)n3)n2c1.
What is the InChIKey of N-[[(2R,3S)-1-cyclopropyl-3-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]piperazin-2-yl]methyl]methanesulfonamide;N-[[(2S,3R)-1-cyclopropyl-3-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]piperazin-2-yl]methyl]methanesulfonamide;3-[2-[(3R)-4-[[(3S)-oxan-3-yl]methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[2-[(3R)-4-[[(3R)-oxan-3-yl]methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[2-[(3S)-4-[[(3R)-oxan-3-yl]methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
The InChIKey is FXZPNTPPNCAPSV-DFYMQBCASA-N. The full InChI is InChI=1S/3C25H27F3N8O.2C22H26F3N7O2S/c3*26-25(27,28)19-3-4-23-30-12-21(36(23)14-19)20-5-6-29-24(33-20)35-8-7-34(13-17-2-1-9-37-16-17)22(15-35)18-10-31-32-11-18;2*1-14-18(12-28-35(2,33)34)31(16-4-5-16)10-9-30(14)21-26-8-7-17(29-21)19-11-27-20-6-3-15(13-32(19)20)22(23,24)25/h3*3-6,10-12,14,17,22H,1-2,7-9,13,15-16H2,(H,31,32);2*3,6-8,11,13-14,16,18,28H,4-5,9-10,12H2,1-2H3/t17-,22+;2*17-,22-;2*14-,18+/m11010/s1.
What are the key properties of N-[[(2R,3S)-1-cyclopropyl-3-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]piperazin-2-yl]methyl]methanesulfonamide;N-[[(2S,3R)-1-cyclopropyl-3-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]piperazin-2-yl]methyl]methanesulfonamide;3-[2-[(3R)-4-[[(3S)-oxan-3-yl]methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[2-[(3R)-4-[[(3R)-oxan-3-yl]methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[2-[(3S)-4-[[(3R)-oxan-3-yl]methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
N-[[(2R,3S)-1-cyclopropyl-3-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]piperazin-2-yl]methyl]methanesulfonamide;N-[[(2S,3R)-1-cyclopropyl-3-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]piperazin-2-yl]methyl]methanesulfonamide;3-[2-[(3R)-4-[[(3S)-oxan-3-yl]methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[2-[(3R)-4-[[(3R)-oxan-3-yl]methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[2-[(3S)-4-[[(3R)-oxan-3-yl]methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine has a molecular weight of 2556.74 g/mol, XLogP of 16.27, 27 rotatable bonds, 5 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S)-1-cyclopropyl-3-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]piperazin-2-yl]methyl]methanesulfonamide;N-[[(2S,3R)-1-cyclopropyl-3-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]piperazin-2-yl]methyl]methanesulfonamide;3-[2-[(3R)-4-[[(3S)-oxan-3-yl]methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[2-[(3R)-4-[[(3R)-oxan-3-yl]methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[2-[(3S)-4-[[(3R)-oxan-3-yl]methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 158175935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).