3-[4-[(3R)-3-(1H-pyrazol-4-yl)-4-[[(2R)-spiro[2.2]pentan-2-yl]methyl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(3S)-3-(1H-pyrazol-4-yl)-4-[[(2R)-spiro[2.2]pentan-2-yl]methyl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(3R)-3-(1H-pyrazol-4-yl)-4-[[(2S)-spiro[2.2]pentan-2-yl]methyl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(3S)-3-(1H-pyrazol-4-yl)-4-[[(2S)-spiro[2.2]pentan-2-yl]methyl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;6-[(2S)-2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]-2λ6-thiaspiro[3.3]heptane 2,2-dioxide

C125H125F15N40O2S — CID 161176481

IUPAC3-[4-[(3R)-3-(1H-pyrazol-4-yl)-4-[[(2R)-spiro[2.2]pentan-2-yl]methyl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(3S)-3-(1H-pyrazol-4-yl)-4-[[(2R)-spiro[2.2]pentan-2-yl]methyl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(3R)-3-(1H-pyrazol-4-yl)-4-[[(2S)-spiro[2.2]pentan-2-yl]methyl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(3S)-3-(1H-pyrazol-4-yl)-4-[[(2S)-spiro[2.2]pentan-2-yl]methyl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;6-[(2S)-2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]-2λ6-thiaspiro[3.3]heptane 2,2-dioxide
SMILESFC(F)(F)c1ccc2ncc(-c3nccc(N4CCN(C[C@@H]5CC56CC6)[C@@H](c5cn[nH]c5)C4)n3)n2c1.FC(F)(F)c1ccc2ncc(-c3nccc(N4CCN(C[C@@H]5CC56CC6)[C@H](c5cn[nH]c5)C4)n3)n2c1.FC(F)(F)c1ccc2ncc(-c3nccc(N4CCN(C[C@H]5CC56CC6)[C@@H](c5cn[nH]c5)C4)n3)n2c1.FC(F)(F)c1ccc2ncc(-c3nccc(N4CCN(C[C@H]5CC56CC6)[C@H](c5cn[nH]c5)C4)n3)n2c1.O=S1(=O)CC2(CC(N3CCN(c4ccnc(-c5cnc6ccc(C(F)(F)F)cn56)n4)C[C@@H]3c3cn[nH]c3)C2)C1
InChIInChI=1S/C25H25F3N8O2S.4C25H25F3N8/c26-25(27,28)17-1-2-21-30-11-19(36(21)12-17)23-29-4-3-22(33-23)34-5-6-35(20(13-34)16-9-31-32-10-16)18-7-24(8-18)14-39(37,38)15-24;4*26-25(27,28)17-1-2-21-30-12-19(36(21)14-17)23-29-6-3-22(33-23)35-8-7-34(13-18-9-24(18)4-5-24)20(15-35)16-10-31-32-11-16/h1-4,9-12,18,20H,5-8,13-15H2,(H,31,32);4*1-3,6,10-12,14,18,20H,4-5,7-9,13,15H2,(H,31,32)/t20-;2*18-,20+;2*18-,20-/m11010/s1
InChIKeyURWMJAUVJRRPIV-FMIIFHQBSA-N
MW2536.69 g/mol
LogP19.76
Rot. Bonds24

About 3-[4-[(3R)-3-(1H-pyrazol-4-yl)-4-[[(2R)-spiro[2.2]pentan-2-yl]methyl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(3S)-3-(1H-pyrazol-4-yl)-4-[[(2R)-spiro[2.2]pentan-2-yl]methyl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(3R)-3-(1H-pyrazol-4-yl)-4-[[(2S)-spiro[2.2]pentan-2-yl]methyl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(3S)-3-(1H-pyrazol-4-yl)-4-[[(2S)-spiro[2.2]pentan-2-yl]methyl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;6-[(2S)-2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]-2λ6-thiaspiro[3.3]heptane 2,2-dioxide

3-[4-[(3R)-3-(1H-pyrazol-4-yl)-4-[[(2R)-spiro[2.2]pentan-2-yl]methyl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(3S)-3-(1H-pyrazol-4-yl)-4-[[(2R)-spiro[2.2]pentan-2-yl]methyl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(3R)-3-(1H-pyrazol-4-yl)-4-[[(2S)-spiro[2.2]pentan-2-yl]methyl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(3S)-3-(1H-pyrazol-4-yl)-4-[[(2S)-spiro[2.2]pentan-2-yl]methyl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;6-[(2S)-2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]-2λ6-thiaspiro[3.3]heptane 2,2-dioxide (PubChem CID 161176481) has the molecular formula C125H125F15N40O2S and a molecular weight of 2536.69 g/mol. Its IUPAC name is 3-[4-[(3R)-3-(1H-pyrazol-4-yl)-4-[[(2R)-spiro[2.2]pentan-2-yl]methyl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(3S)-3-(1H-pyrazol-4-yl)-4-[[(2R)-spiro[2.2]pentan-2-yl]methyl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(3R)-3-(1H-pyrazol-4-yl)-4-[[(2S)-spiro[2.2]pentan-2-yl]methyl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(3S)-3-(1H-pyrazol-4-yl)-4-[[(2S)-spiro[2.2]pentan-2-yl]methyl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;6-[(2S)-2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]-2λ6-thiaspiro[3.3]heptane 2,2-dioxide.

Molecular Properties

Compound Name3-[4-[(3R)-3-(1H-pyrazol-4-yl)-4-[[(2R)-spiro[2.2]pentan-2-yl]methyl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(3S)-3-(1H-pyrazol-4-yl)-4-[[(2R)-spiro[2.2]pentan-2-yl]methyl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(3R)-3-(1H-pyrazol-4-yl)-4-[[(2S)-spiro[2.2]pentan-2-yl]methyl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(3S)-3-(1H-pyrazol-4-yl)-4-[[(2S)-spiro[2.2]pentan-2-yl]methyl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;6-[(2S)-2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]-2λ6-thiaspiro[3.3]heptane 2,2-dioxide
PubChem CID161176481
Molecular FormulaC125H125F15N40O2S
Molecular Weight2536.69 g/mol
Exact Mass2535.04
IUPAC Name3-[4-[(3R)-3-(1H-pyrazol-4-yl)-4-[[(2R)-spiro[2.2]pentan-2-yl]methyl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(3S)-3-(1H-pyrazol-4-yl)-4-[[(2R)-spiro[2.2]pentan-2-yl]methyl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(3R)-3-(1H-pyrazol-4-yl)-4-[[(2S)-spiro[2.2]pentan-2-yl]methyl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(3S)-3-(1H-pyrazol-4-yl)-4-[[(2S)-spiro[2.2]pentan-2-yl]methyl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;6-[(2S)-2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]-2λ6-thiaspiro[3.3]heptane 2,2-dioxide
SMILESFC(F)(F)c1ccc2ncc(-c3nccc(N4CCN(C[C@@H]5CC56CC6)[C@@H](c5cn[nH]c5)C4)n3)n2c1.FC(F)(F)c1ccc2ncc(-c3nccc(N4CCN(C[C@@H]5CC56CC6)[C@H](c5cn[nH]c5)C4)n3)n2c1.FC(F)(F)c1ccc2ncc(-c3nccc(N4CCN(C[C@H]5CC56CC6)[C@@H](c5cn[nH]c5)C4)n3)n2c1.FC(F)(F)c1ccc2ncc(-c3nccc(N4CCN(C[C@H]5CC56CC6)[C@H](c5cn[nH]c5)C4)n3)n2c1.O=S1(=O)CC2(CC(N3CCN(c4ccnc(-c5cnc6ccc(C(F)(F)F)cn56)n4)C[C@@H]3c3cn[nH]c3)C2)C1
InChIInChI=1S/C25H25F3N8O2S.4C25H25F3N8/c26-25(27,28)17-1-2-21-30-11-19(36(21)12-17)23-29-4-3-22(33-23)34-5-6-35(20(13-34)16-9-31-32-10-16)18-7-24(8-18)14-39(37,38)15-24;4*26-25(27,28)17-1-2-21-30-12-19(36(21)14-17)23-29-6-3-22(33-23)35-8-7-34(13-18-9-24(18)4-5-24)20(15-35)16-10-31-32-11-16/h1-4,9-12,18,20H,5-8,13-15H2,(H,31,32);4*1-3,6,10-12,14,18,20H,4-5,7-9,13,15H2,(H,31,32)/t20-;2*18-,20+;2*18-,20-/m11010/s1
InChIKeyURWMJAUVJRRPIV-FMIIFHQBSA-N
XLogP19.76
TPSA425.34 Ų
H-Bond Donors5
H-Bond Acceptors37
Rotatable Bonds24
Heavy Atoms183
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002536.69
LogP ≤ 519.76
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1037

Analyze 3-[4-[(3R)-3-(1H-pyrazol-4-yl)-4-[[(2R)-spiro[2.2]pentan-2-yl]methyl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(3S)-3-(1H-pyrazol-4-yl)-4-[[(2R)-spiro[2.2]pentan-2-yl]methyl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(3R)-3-(1H-pyrazol-4-yl)-4-[[(2S)-spiro[2.2]pentan-2-yl]methyl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(3S)-3-(1H-pyrazol-4-yl)-4-[[(2S)-spiro[2.2]pentan-2-yl]methyl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;6-[(2S)-2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]-2λ6-thiaspiro[3.3]heptane 2,2-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-[(3R)-4-(3-methylsulfonylcyclobutyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 139344492
3-[4-[(3S)-4-(3-methylsulfonylcyclobutyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 139344643
6-[(2S)-2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]-2lambda6-thiaspiro[3.3]heptane 2,2-dioxide
CID 139344337
6-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]-2lambda6-thiaspiro[3.3]heptane 2,2-dioxide
CID 139344339
3-[4-[4-(3-methylsulfonylcyclobutyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 139344443
6-[(2R)-2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]-2lambda6-thiaspiro[3.3]heptane 2,2-dioxide
CID 139344748
4-[(2S)-2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]thiane 1,1-dioxide
CID 139357057
4-[(2R)-2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]thiane 1,1-dioxide
CID 139357058
6-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]-2lambda4-thiaspiro[3.3]heptane 2-oxide
CID 153331568
1H-pyrazole;6-[4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]-2lambda4-thiaspiro[3.3]heptane 2-oxide
CID 153331607
3-[4-[4-(4,4-difluorocyclohexyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[4-[(2-fluorophenyl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[4-[(3-fluorophenyl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[4-[(4-fluorophenyl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 157147438
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 3-[4-[(3R)-3-(1H-pyrazol-4-yl)-4-[[(2R)-spiro[2.2]pentan-2-yl]methyl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(3S)-3-(1H-pyrazol-4-yl)-4-[[(2R)-spiro[2.2]pentan-2-yl]methyl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(3R)-3-(1H-pyrazol-4-yl)-4-[[(2S)-spiro[2.2]pentan-2-yl]methyl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(3S)-3-(1H-pyrazol-4-yl)-4-[[(2S)-spiro[2.2]pentan-2-yl]methyl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;6-[(2S)-2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]-2λ6-thiaspiro[3.3]heptane 2,2-dioxide?
The IUPAC name of 3-[4-[(3R)-3-(1H-pyrazol-4-yl)-4-[[(2R)-spiro[2.2]pentan-2-yl]methyl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(3S)-3-(1H-pyrazol-4-yl)-4-[[(2R)-spiro[2.2]pentan-2-yl]methyl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(3R)-3-(1H-pyrazol-4-yl)-4-[[(2S)-spiro[2.2]pentan-2-yl]methyl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(3S)-3-(1H-pyrazol-4-yl)-4-[[(2S)-spiro[2.2]pentan-2-yl]methyl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;6-[(2S)-2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]-2λ6-thiaspiro[3.3]heptane 2,2-dioxide (CID 161176481) is 3-[4-[(3R)-3-(1H-pyrazol-4-yl)-4-[[(2R)-spiro[2.2]pentan-2-yl]methyl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(3S)-3-(1H-pyrazol-4-yl)-4-[[(2R)-spiro[2.2]pentan-2-yl]methyl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(3R)-3-(1H-pyrazol-4-yl)-4-[[(2S)-spiro[2.2]pentan-2-yl]methyl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(3S)-3-(1H-pyrazol-4-yl)-4-[[(2S)-spiro[2.2]pentan-2-yl]methyl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;6-[(2S)-2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]-2λ6-thiaspiro[3.3]heptane 2,2-dioxide.
What is the SMILES notation for 3-[4-[(3R)-3-(1H-pyrazol-4-yl)-4-[[(2R)-spiro[2.2]pentan-2-yl]methyl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(3S)-3-(1H-pyrazol-4-yl)-4-[[(2R)-spiro[2.2]pentan-2-yl]methyl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(3R)-3-(1H-pyrazol-4-yl)-4-[[(2S)-spiro[2.2]pentan-2-yl]methyl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(3S)-3-(1H-pyrazol-4-yl)-4-[[(2S)-spiro[2.2]pentan-2-yl]methyl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;6-[(2S)-2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]-2λ6-thiaspiro[3.3]heptane 2,2-dioxide?
The canonical SMILES for 3-[4-[(3R)-3-(1H-pyrazol-4-yl)-4-[[(2R)-spiro[2.2]pentan-2-yl]methyl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(3S)-3-(1H-pyrazol-4-yl)-4-[[(2R)-spiro[2.2]pentan-2-yl]methyl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(3R)-3-(1H-pyrazol-4-yl)-4-[[(2S)-spiro[2.2]pentan-2-yl]methyl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(3S)-3-(1H-pyrazol-4-yl)-4-[[(2S)-spiro[2.2]pentan-2-yl]methyl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;6-[(2S)-2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]-2λ6-thiaspiro[3.3]heptane 2,2-dioxide is FC(F)(F)c1ccc2ncc(-c3nccc(N4CCN(C[C@@H]5CC56CC6)[C@@H](c5cn[nH]c5)C4)n3)n2c1.FC(F)(F)c1ccc2ncc(-c3nccc(N4CCN(C[C@@H]5CC56CC6)[C@H](c5cn[nH]c5)C4)n3)n2c1.FC(F)(F)c1ccc2ncc(-c3nccc(N4CCN(C[C@H]5CC56CC6)[C@@H](c5cn[nH]c5)C4)n3)n2c1.FC(F)(F)c1ccc2ncc(-c3nccc(N4CCN(C[C@H]5CC56CC6)[C@H](c5cn[nH]c5)C4)n3)n2c1.O=S1(=O)CC2(CC(N3CCN(c4ccnc(-c5cnc6ccc(C(F)(F)F)cn56)n4)C[C@@H]3c3cn[nH]c3)C2)C1.
What is the InChIKey of 3-[4-[(3R)-3-(1H-pyrazol-4-yl)-4-[[(2R)-spiro[2.2]pentan-2-yl]methyl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(3S)-3-(1H-pyrazol-4-yl)-4-[[(2R)-spiro[2.2]pentan-2-yl]methyl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(3R)-3-(1H-pyrazol-4-yl)-4-[[(2S)-spiro[2.2]pentan-2-yl]methyl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(3S)-3-(1H-pyrazol-4-yl)-4-[[(2S)-spiro[2.2]pentan-2-yl]methyl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;6-[(2S)-2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]-2λ6-thiaspiro[3.3]heptane 2,2-dioxide?
The InChIKey is URWMJAUVJRRPIV-FMIIFHQBSA-N. The full InChI is InChI=1S/C25H25F3N8O2S.4C25H25F3N8/c26-25(27,28)17-1-2-21-30-11-19(36(21)12-17)23-29-4-3-22(33-23)34-5-6-35(20(13-34)16-9-31-32-10-16)18-7-24(8-18)14-39(37,38)15-24;4*26-25(27,28)17-1-2-21-30-12-19(36(21)14-17)23-29-6-3-22(33-23)35-8-7-34(13-18-9-24(18)4-5-24)20(15-35)16-10-31-32-11-16/h1-4,9-12,18,20H,5-8,13-15H2,(H,31,32);4*1-3,6,10-12,14,18,20H,4-5,7-9,13,15H2,(H,31,32)/t20-;2*18-,20+;2*18-,20-/m11010/s1.
What are the key properties of 3-[4-[(3R)-3-(1H-pyrazol-4-yl)-4-[[(2R)-spiro[2.2]pentan-2-yl]methyl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(3S)-3-(1H-pyrazol-4-yl)-4-[[(2R)-spiro[2.2]pentan-2-yl]methyl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(3R)-3-(1H-pyrazol-4-yl)-4-[[(2S)-spiro[2.2]pentan-2-yl]methyl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(3S)-3-(1H-pyrazol-4-yl)-4-[[(2S)-spiro[2.2]pentan-2-yl]methyl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;6-[(2S)-2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]-2λ6-thiaspiro[3.3]heptane 2,2-dioxide?
3-[4-[(3R)-3-(1H-pyrazol-4-yl)-4-[[(2R)-spiro[2.2]pentan-2-yl]methyl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(3S)-3-(1H-pyrazol-4-yl)-4-[[(2R)-spiro[2.2]pentan-2-yl]methyl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(3R)-3-(1H-pyrazol-4-yl)-4-[[(2S)-spiro[2.2]pentan-2-yl]methyl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(3S)-3-(1H-pyrazol-4-yl)-4-[[(2S)-spiro[2.2]pentan-2-yl]methyl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;6-[(2S)-2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]-2λ6-thiaspiro[3.3]heptane 2,2-dioxide has a molecular weight of 2536.69 g/mol, XLogP of 19.76, 24 rotatable bonds, 5 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3R)-3-(1H-pyrazol-4-yl)-4-[[(2R)-spiro[2.2]pentan-2-yl]methyl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(3S)-3-(1H-pyrazol-4-yl)-4-[[(2R)-spiro[2.2]pentan-2-yl]methyl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(3R)-3-(1H-pyrazol-4-yl)-4-[[(2S)-spiro[2.2]pentan-2-yl]methyl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(3S)-3-(1H-pyrazol-4-yl)-4-[[(2S)-spiro[2.2]pentan-2-yl]methyl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;6-[(2S)-2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]-2λ6-thiaspiro[3.3]heptane 2,2-dioxide is sourced from PubChem (CID 161176481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).