[4-(cyclohexylamino)piperidin-1-yl]-[2-methoxy-5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone;1-[1-[2-cyclopropyl-5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]ethenyl]-N-[(3S,4S)-3-methoxyoxan-4-yl]piperidin-4-amine;1-[1-[2-cyclopropyl-5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]ethenyl]-N-[(3R,4R)-3-methoxyoxan-4-yl]piperidin-4-amine;[2-cyclopropyl-5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-[4-[[(3S,4S)-3-fluorooxan-4-yl]methyl]piperidin-1-yl]methanone

C112H140F13N15O8 — CID 157406433

IUPAC[4-(cyclohexylamino)piperidin-1-yl]-[2-methoxy-5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone;1-[1-[2-cyclopropyl-5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]ethenyl]-N-[(3S,4S)-3-methoxyoxan-4-yl]piperidin-4-amine;1-[1-[2-cyclopropyl-5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]ethenyl]-N-[(3R,4R)-3-methoxyoxan-4-yl]piperidin-4-amine;[2-cyclopropyl-5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-[4-[[(3S,4S)-3-fluorooxan-4-yl]methyl]piperidin-1-yl]methanone
SMILESC=C(c1nc(C2CC2)nc(Cc2cccc(C(F)(F)F)c2)c1C)N1CCC(N[C@@H]2CCOC[C@@H]2OC)CC1.C=C(c1nc(C2CC2)nc(Cc2cccc(C(F)(F)F)c2)c1C)N1CCC(N[C@H]2CCOC[C@H]2OC)CC1.COc1nc(Cc2cccc(C(F)(F)F)c2)c(C)c(C(=O)N2CCC(NC3CCCCC3)CC2)n1.Cc1c(Cc2cccc(C(F)(F)F)c2)nc(C2CC2)nc1C(=O)N1CCC(C[C@H]2CCOC[C@H]2F)CC1
InChIInChI=1S/2C29H37F3N4O2.C28H33F4N3O2.C26H33F3N4O2/c2*1-18-25(16-20-5-4-6-22(15-20)29(30,31)32)34-28(21-7-8-21)35-27(18)19(2)36-12-9-23(10-13-36)33-24-11-14-38-17-26(24)37-3;1-17-24(15-19-3-2-4-22(14-19)28(30,31)32)33-26(20-5-6-20)34-25(17)27(36)35-10-7-18(8-11-35)13-21-9-12-37-16-23(21)29;1-17-22(16-18-7-6-8-19(15-18)26(27,28)29)31-25(35-2)32-23(17)24(34)33-13-11-21(12-14-33)30-20-9-4-3-5-10-20/h2*4-6,15,21,23-24,26,33H,2,7-14,16-17H2,1,3H3;2-4,14,18,20-21,23H,5-13,15-16H2,1H3;6-8,15,20-21,30H,3-5,9-14,16H2,1-2H3/t2*24-,26+;21-,23-;/m101./s1
InChIKeyBNTPFKUEYPPGEN-PDVWGABOSA-N
MW2071.42 g/mol
LogP21.02
Rot. Bonds28

About [4-(cyclohexylamino)piperidin-1-yl]-[2-methoxy-5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone;1-[1-[2-cyclopropyl-5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]ethenyl]-N-[(3S,4S)-3-methoxyoxan-4-yl]piperidin-4-amine;1-[1-[2-cyclopropyl-5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]ethenyl]-N-[(3R,4R)-3-methoxyoxan-4-yl]piperidin-4-amine;[2-cyclopropyl-5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-[4-[[(3S,4S)-3-fluorooxan-4-yl]methyl]piperidin-1-yl]methanone

[4-(cyclohexylamino)piperidin-1-yl]-[2-methoxy-5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone;1-[1-[2-cyclopropyl-5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]ethenyl]-N-[(3S,4S)-3-methoxyoxan-4-yl]piperidin-4-amine;1-[1-[2-cyclopropyl-5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]ethenyl]-N-[(3R,4R)-3-methoxyoxan-4-yl]piperidin-4-amine;[2-cyclopropyl-5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-[4-[[(3S,4S)-3-fluorooxan-4-yl]methyl]piperidin-1-yl]methanone (PubChem CID 157406433) has the molecular formula C112H140F13N15O8 and a molecular weight of 2071.42 g/mol. Its IUPAC name is [4-(cyclohexylamino)piperidin-1-yl]-[2-methoxy-5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone;1-[1-[2-cyclopropyl-5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]ethenyl]-N-[(3S,4S)-3-methoxyoxan-4-yl]piperidin-4-amine;1-[1-[2-cyclopropyl-5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]ethenyl]-N-[(3R,4R)-3-methoxyoxan-4-yl]piperidin-4-amine;[2-cyclopropyl-5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-[4-[[(3S,4S)-3-fluorooxan-4-yl]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(cyclohexylamino)piperidin-1-yl]-[2-methoxy-5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone;1-[1-[2-cyclopropyl-5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]ethenyl]-N-[(3S,4S)-3-methoxyoxan-4-yl]piperidin-4-amine;1-[1-[2-cyclopropyl-5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]ethenyl]-N-[(3R,4R)-3-methoxyoxan-4-yl]piperidin-4-amine;[2-cyclopropyl-5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-[4-[[(3S,4S)-3-fluorooxan-4-yl]methyl]piperidin-1-yl]methanone
PubChem CID157406433
Molecular FormulaC112H140F13N15O8
Molecular Weight2071.42 g/mol
Exact Mass2070.08
IUPAC Name[4-(cyclohexylamino)piperidin-1-yl]-[2-methoxy-5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone;1-[1-[2-cyclopropyl-5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]ethenyl]-N-[(3S,4S)-3-methoxyoxan-4-yl]piperidin-4-amine;1-[1-[2-cyclopropyl-5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]ethenyl]-N-[(3R,4R)-3-methoxyoxan-4-yl]piperidin-4-amine;[2-cyclopropyl-5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-[4-[[(3S,4S)-3-fluorooxan-4-yl]methyl]piperidin-1-yl]methanone
SMILESC=C(c1nc(C2CC2)nc(Cc2cccc(C(F)(F)F)c2)c1C)N1CCC(N[C@@H]2CCOC[C@@H]2OC)CC1.C=C(c1nc(C2CC2)nc(Cc2cccc(C(F)(F)F)c2)c1C)N1CCC(N[C@H]2CCOC[C@H]2OC)CC1.COc1nc(Cc2cccc(C(F)(F)F)c2)c(C)c(C(=O)N2CCC(NC3CCCCC3)CC2)n1.Cc1c(Cc2cccc(C(F)(F)F)c2)nc(C2CC2)nc1C(=O)N1CCC(C[C@H]2CCOC[C@H]2F)CC1
InChIInChI=1S/2C29H37F3N4O2.C28H33F4N3O2.C26H33F3N4O2/c2*1-18-25(16-20-5-4-6-22(15-20)29(30,31)32)34-28(21-7-8-21)35-27(18)19(2)36-12-9-23(10-13-36)33-24-11-14-38-17-26(24)37-3;1-17-24(15-19-3-2-4-22(14-19)28(30,31)32)33-26(20-5-6-20)34-25(17)27(36)35-10-7-18(8-11-35)13-21-9-12-37-16-23(21)29;1-17-22(16-18-7-6-8-19(15-18)26(27,28)29)31-25(35-2)32-23(17)24(34)33-13-11-21(12-14-33)30-20-9-4-3-5-10-20/h2*4-6,15,21,23-24,26,33H,2,7-14,16-17H2,1,3H3;2-4,14,18,20-21,23H,5-13,15-16H2,1H3;6-8,15,20-21,30H,3-5,9-14,16H2,1-2H3/t2*24-,26+;21-,23-;/m101./s1
InChIKeyBNTPFKUEYPPGEN-PDVWGABOSA-N
XLogP21.02
TPSA241.69 Ų
H-Bond Donors3
H-Bond Acceptors21
Rotatable Bonds28
Heavy Atoms148
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002071.42
LogP ≤ 521.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1021

Analyze [4-(cyclohexylamino)piperidin-1-yl]-[2-methoxy-5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone;1-[1-[2-cyclopropyl-5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]ethenyl]-N-[(3S,4S)-3-methoxyoxan-4-yl]piperidin-4-amine;1-[1-[2-cyclopropyl-5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]ethenyl]-N-[(3R,4R)-3-methoxyoxan-4-yl]piperidin-4-amine;[2-cyclopropyl-5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-[4-[[(3S,4S)-3-fluorooxan-4-yl]methyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

[2-methoxy-5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-[4-[[(3R,4R)-3-methoxyoxan-4-yl]amino]piperidin-1-yl]methanone
CID 147177519
[4-[(4aS,8aS)-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]oxazin-1-yl]piperidin-1-yl]-[2-cyclopropyl-5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone
CID 157226306
[4-[(4aR,8aR)-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]oxazin-1-yl]piperidin-1-yl]-[2-cyclopropyl-5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone
CID 157226307
[2-methoxy-5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-[4-[[(3S,4S)-3-methoxyoxan-4-yl]amino]piperidin-1-yl]methanone
CID 157505726
1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-2,5-dimethylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide;(3R)-1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-2,5-dimethylpyrimidine-4-carbonyl]piperidin-4-yl]pyrrolidine-3-carboxamide;[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-[(4,4-difluorocyclohexyl)-methylamino]piperidin-1-yl]methanone;[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-[(2,6-dimethyloxan-4-yl)-methylamino]piperidin-1-yl]methanone;[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-[(3-methoxyoxan-4-yl)-methylamino]piperidin-1-yl]methanone;[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-[methyl(oxan-4-yl)amino]piperidin-1-yl]methanone
CID 157825681
6-[(1-acetylazetidin-3-yl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-propan-2-ylpyrimidine-4-carboxamide;6-(azetidin-3-ylmethyl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(trifluoromethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[ethyl(methyl)amino]-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-methoxyethyl(methyl)amino]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[methyl(propyl)amino]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)-2-piperazin-1-ylpyrimidine-4-carboxamide
CID 157832596
[4-(cyclohexylamino)piperidin-1-yl]-[6-[(3,4-dichlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]methanone;[2-cyclopropyl-6-[(3,4-dichlorophenyl)methyl]-5-methylpyrimidin-4-yl]-[4-[[(3S,4S)-3-fluorooxan-4-yl]amino]piperidin-1-yl]methanone;[2-cyclopropyl-6-[(3,4-dichlorophenyl)methyl]-5-methylpyrimidin-4-yl]-[4-[[(3R,4R)-3-fluorooxan-4-yl]amino]piperidin-1-yl]methanone;[2-cyclopropyl-6-[(3,4-dichlorophenyl)methyl]-5-methylpyrimidin-4-yl]-[4-[[(3S,4S)-3-methoxyoxan-4-yl]amino]piperidin-1-yl]methanone;[2-cyclopropyl-6-[(3,4-dichlorophenyl)methyl]-5-methylpyrimidin-4-yl]-[4-[[(3R,4R)-3-methoxyoxan-4-yl]amino]piperidin-1-yl]methanone
CID 158305502
(6-benzyl-5-methylpyrimidin-4-yl)-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]methanone;[6-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-methylpyrimidin-4-yl]-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]methanone;[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[5-methoxy-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone;[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]-[5-methyl-6-[(3-methylphenyl)methyl]pyrimidin-4-yl]methanone;[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]-[5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone;[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone;[4-[[(1R,2S)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone
CID 158470512
1-[(3S)-3-[[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]methyl]piperidin-1-yl]ethanone;[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-[(4,4-difluoro-2-methoxycyclohexyl)amino]piperidin-1-yl]methanone;[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-[(3-fluorooxan-4-yl)amino]piperidin-1-yl]methanone;[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-[[(3S,4S)-3-methoxyoxan-4-yl]amino]piperidin-1-yl]methanone;ethyl 4-[[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]amino]-3-methoxypiperidine-1-carboxylate
CID 158849192
[6-(7-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-5-methylpyrimidin-4-yl]-[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone;bis([2-cyclopropyl-5-methyl-6-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]pyrimidin-4-yl]-[4-[[(3R,4R)-3-fluorooxan-4-yl]amino]piperidin-1-yl]methanone);[2-cyclopropyl-5-methyl-6-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]pyrimidin-4-yl]-[4-[[(3S,4S)-3-methoxyoxan-4-yl]amino]piperidin-1-yl]methanone;[2-methoxy-5-methyl-6-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]pyrimidin-4-yl]-[4-(oxan-4-ylamino)piperidin-1-yl]methanone
CID 158938108
[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]-[5-methyl-6-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]methanone;[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]-[5-methyl-6-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]pyrimidin-4-yl]methanone;[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]-[5-methyl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-4-yl]methanone;[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]-[5-methyl-6-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-4-yl]methanone;[4-[(3-methoxyoxan-4-yl)methyl]piperidin-1-yl]-[5-methyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-4-yl]methanone
CID 158946131
[6-[(3,4-dichlorophenyl)methyl]-2-methoxy-5-methylpyrimidin-4-yl]-[4-[(2-fluorocyclohexyl)amino]piperidin-1-yl]methanone;[6-[(3,4-dichlorophenyl)methyl]-5-methylpyrimidin-4-yl]-[4-[[(1R,2S)-2-fluorocyclohexyl]amino]piperidin-1-yl]methanone;[6-[(3,4-dichlorophenyl)methyl]-5-methylpyrimidin-4-yl]-[4-[[(3S,4S)-3-fluorooxan-4-yl]amino]piperidin-1-yl]methanone;[6-[(3,4-dichlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-[4-[[(1R,2S)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone;[6-[(3,4-dichlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone;[4-[[(1R,2S)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[2-methoxy-5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone
CID 158955931

Frequently Asked Questions

What is the IUPAC name of [4-(cyclohexylamino)piperidin-1-yl]-[2-methoxy-5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone;1-[1-[2-cyclopropyl-5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]ethenyl]-N-[(3S,4S)-3-methoxyoxan-4-yl]piperidin-4-amine;1-[1-[2-cyclopropyl-5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]ethenyl]-N-[(3R,4R)-3-methoxyoxan-4-yl]piperidin-4-amine;[2-cyclopropyl-5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-[4-[[(3S,4S)-3-fluorooxan-4-yl]methyl]piperidin-1-yl]methanone?
The IUPAC name of [4-(cyclohexylamino)piperidin-1-yl]-[2-methoxy-5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone;1-[1-[2-cyclopropyl-5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]ethenyl]-N-[(3S,4S)-3-methoxyoxan-4-yl]piperidin-4-amine;1-[1-[2-cyclopropyl-5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]ethenyl]-N-[(3R,4R)-3-methoxyoxan-4-yl]piperidin-4-amine;[2-cyclopropyl-5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-[4-[[(3S,4S)-3-fluorooxan-4-yl]methyl]piperidin-1-yl]methanone (CID 157406433) is [4-(cyclohexylamino)piperidin-1-yl]-[2-methoxy-5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone;1-[1-[2-cyclopropyl-5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]ethenyl]-N-[(3S,4S)-3-methoxyoxan-4-yl]piperidin-4-amine;1-[1-[2-cyclopropyl-5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]ethenyl]-N-[(3R,4R)-3-methoxyoxan-4-yl]piperidin-4-amine;[2-cyclopropyl-5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-[4-[[(3S,4S)-3-fluorooxan-4-yl]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for [4-(cyclohexylamino)piperidin-1-yl]-[2-methoxy-5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone;1-[1-[2-cyclopropyl-5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]ethenyl]-N-[(3S,4S)-3-methoxyoxan-4-yl]piperidin-4-amine;1-[1-[2-cyclopropyl-5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]ethenyl]-N-[(3R,4R)-3-methoxyoxan-4-yl]piperidin-4-amine;[2-cyclopropyl-5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-[4-[[(3S,4S)-3-fluorooxan-4-yl]methyl]piperidin-1-yl]methanone?
The canonical SMILES for [4-(cyclohexylamino)piperidin-1-yl]-[2-methoxy-5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone;1-[1-[2-cyclopropyl-5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]ethenyl]-N-[(3S,4S)-3-methoxyoxan-4-yl]piperidin-4-amine;1-[1-[2-cyclopropyl-5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]ethenyl]-N-[(3R,4R)-3-methoxyoxan-4-yl]piperidin-4-amine;[2-cyclopropyl-5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-[4-[[(3S,4S)-3-fluorooxan-4-yl]methyl]piperidin-1-yl]methanone is C=C(c1nc(C2CC2)nc(Cc2cccc(C(F)(F)F)c2)c1C)N1CCC(N[C@@H]2CCOC[C@@H]2OC)CC1.C=C(c1nc(C2CC2)nc(Cc2cccc(C(F)(F)F)c2)c1C)N1CCC(N[C@H]2CCOC[C@H]2OC)CC1.COc1nc(Cc2cccc(C(F)(F)F)c2)c(C)c(C(=O)N2CCC(NC3CCCCC3)CC2)n1.Cc1c(Cc2cccc(C(F)(F)F)c2)nc(C2CC2)nc1C(=O)N1CCC(C[C@H]2CCOC[C@H]2F)CC1.
What is the InChIKey of [4-(cyclohexylamino)piperidin-1-yl]-[2-methoxy-5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone;1-[1-[2-cyclopropyl-5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]ethenyl]-N-[(3S,4S)-3-methoxyoxan-4-yl]piperidin-4-amine;1-[1-[2-cyclopropyl-5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]ethenyl]-N-[(3R,4R)-3-methoxyoxan-4-yl]piperidin-4-amine;[2-cyclopropyl-5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-[4-[[(3S,4S)-3-fluorooxan-4-yl]methyl]piperidin-1-yl]methanone?
The InChIKey is BNTPFKUEYPPGEN-PDVWGABOSA-N. The full InChI is InChI=1S/2C29H37F3N4O2.C28H33F4N3O2.C26H33F3N4O2/c2*1-18-25(16-20-5-4-6-22(15-20)29(30,31)32)34-28(21-7-8-21)35-27(18)19(2)36-12-9-23(10-13-36)33-24-11-14-38-17-26(24)37-3;1-17-24(15-19-3-2-4-22(14-19)28(30,31)32)33-26(20-5-6-20)34-25(17)27(36)35-10-7-18(8-11-35)13-21-9-12-37-16-23(21)29;1-17-22(16-18-7-6-8-19(15-18)26(27,28)29)31-25(35-2)32-23(17)24(34)33-13-11-21(12-14-33)30-20-9-4-3-5-10-20/h2*4-6,15,21,23-24,26,33H,2,7-14,16-17H2,1,3H3;2-4,14,18,20-21,23H,5-13,15-16H2,1H3;6-8,15,20-21,30H,3-5,9-14,16H2,1-2H3/t2*24-,26+;21-,23-;/m101./s1.
What are the key properties of [4-(cyclohexylamino)piperidin-1-yl]-[2-methoxy-5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone;1-[1-[2-cyclopropyl-5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]ethenyl]-N-[(3S,4S)-3-methoxyoxan-4-yl]piperidin-4-amine;1-[1-[2-cyclopropyl-5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]ethenyl]-N-[(3R,4R)-3-methoxyoxan-4-yl]piperidin-4-amine;[2-cyclopropyl-5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-[4-[[(3S,4S)-3-fluorooxan-4-yl]methyl]piperidin-1-yl]methanone?
[4-(cyclohexylamino)piperidin-1-yl]-[2-methoxy-5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone;1-[1-[2-cyclopropyl-5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]ethenyl]-N-[(3S,4S)-3-methoxyoxan-4-yl]piperidin-4-amine;1-[1-[2-cyclopropyl-5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]ethenyl]-N-[(3R,4R)-3-methoxyoxan-4-yl]piperidin-4-amine;[2-cyclopropyl-5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-[4-[[(3S,4S)-3-fluorooxan-4-yl]methyl]piperidin-1-yl]methanone has a molecular weight of 2071.42 g/mol, XLogP of 21.02, 28 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclohexylamino)piperidin-1-yl]-[2-methoxy-5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]methanone;1-[1-[2-cyclopropyl-5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]ethenyl]-N-[(3S,4S)-3-methoxyoxan-4-yl]piperidin-4-amine;1-[1-[2-cyclopropyl-5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]ethenyl]-N-[(3R,4R)-3-methoxyoxan-4-yl]piperidin-4-amine;[2-cyclopropyl-5-methyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-[4-[[(3S,4S)-3-fluorooxan-4-yl]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 157406433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).