[6-[(4-tert-butylphenyl)methoxy]-2-methoxy-5-methylpyrimidin-4-yl]-[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone;[4-[(4-tert-butylphenyl)methoxy]-3-methyl-2-pyridinyl]-[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone;[4-[(4-tert-butylphenyl)methoxy]-3-methyl-2-pyridinyl]-[4-[[(1R,2S)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methoxy]-5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methoxy]-5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-[4-[[(1R,2S)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone;[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[2-methoxy-5-methyl-6-[[4-(trifluoromethyl)phenyl]methoxy]pyrimidin-4-yl]methanone;[4-[[(1R,2S)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[2-methoxy-5-methyl-6-[[4-(trifluoromethyl)phenyl]methoxy]pyrimidin-4-yl]methanone

C204H282F12N26O24 — CID 159683687

IUPAC[6-[(4-tert-butylphenyl)methoxy]-2-methoxy-5-methylpyrimidin-4-yl]-[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone;[4-[(4-tert-butylphenyl)methoxy]-3-methyl-2-pyridinyl]-[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone;[4-[(4-tert-butylphenyl)methoxy]-3-methyl-2-pyridinyl]-[4-[[(1R,2S)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methoxy]-5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methoxy]-5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-[4-[[(1R,2S)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone;[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[2-methoxy-5-methyl-6-[[4-(trifluoromethyl)phenyl]methoxy]pyrimidin-4-yl]methanone;[4-[[(1R,2S)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[2-methoxy-5-methyl-6-[[4-(trifluoromethyl)phenyl]methoxy]pyrimidin-4-yl]methanone
SMILESCO[C@@H]1CCCC[C@@H]1NC1CCN(C(=O)c2nc(C(F)(F)F)nc(OCc3ccc(C(C)(C)C)cc3)c2C)CC1.CO[C@@H]1CCCC[C@@H]1NC1CCN(C(=O)c2nccc(OCc3ccc(C(C)(C)C)cc3)c2C)CC1.CO[C@H]1CCCC[C@H]1NC1CCN(C(=O)c2nc(C(F)(F)F)nc(OCc3ccc(C(C)(C)C)cc3)c2C)CC1.CO[C@H]1CCCC[C@H]1NC1CCN(C(=O)c2nccc(OCc3ccc(C(C)(C)C)cc3)c2C)CC1.COc1nc(OCc2ccc(C(C)(C)C)cc2)c(C)c(C(=O)N2CCC(N[C@H]3CCCC[C@H]3OC)CC2)n1.COc1nc(OCc2ccc(C(F)(F)F)cc2)c(C)c(C(=O)N2CCC(N[C@@H]3CCCC[C@@H]3OC)CC2)n1.COc1nc(OCc2ccc(C(F)(F)F)cc2)c(C)c(C(=O)N2CCC(N[C@H]3CCCC[C@H]3OC)CC2)n1
InChIInChI=1S/2C30H41F3N4O3.C30H44N4O4.2C30H43N3O3.2C27H35F3N4O4/c2*1-19-25(27(38)37-16-14-22(15-17-37)34-23-8-6-7-9-24(23)39-5)35-28(30(31,32)33)36-26(19)40-18-20-10-12-21(13-11-20)29(2,3)4;1-20-26(28(35)34-17-15-23(16-18-34)31-24-9-7-8-10-25(24)36-5)32-29(37-6)33-27(20)38-19-21-11-13-22(14-12-21)30(2,3)4;2*1-21-26(36-20-22-10-12-23(13-11-22)30(2,3)4)14-17-31-28(21)29(34)33-18-15-24(16-19-33)32-25-8-6-7-9-27(25)35-5;2*1-17-23(25(35)34-14-12-20(13-15-34)31-21-6-4-5-7-22(21)36-2)32-26(37-3)33-24(17)38-16-18-8-10-19(11-9-18)27(28,29)30/h2*10-13,22-24,34H,6-9,14-18H2,1-5H3;11-14,23-25,31H,7-10,15-19H2,1-6H3;2*10-14,17,24-25,27,32H,6-9,15-16,18-20H2,1-5H3;2*8-11,20-22,31H,4-7,12-16H2,1-3H3/t2*23-,24+;24-,25+;2*25-,27+;2*21-,22+/m1001010/s1
InChIKeyMVNFEYIFIYGUQW-QEIOMJHASA-N
MW3710.63 g/mol
LogP36.41
Rot. Bonds52

About [6-[(4-tert-butylphenyl)methoxy]-2-methoxy-5-methylpyrimidin-4-yl]-[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone;[4-[(4-tert-butylphenyl)methoxy]-3-methyl-2-pyridinyl]-[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone;[4-[(4-tert-butylphenyl)methoxy]-3-methyl-2-pyridinyl]-[4-[[(1R,2S)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methoxy]-5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methoxy]-5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-[4-[[(1R,2S)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone;[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[2-methoxy-5-methyl-6-[[4-(trifluoromethyl)phenyl]methoxy]pyrimidin-4-yl]methanone;[4-[[(1R,2S)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[2-methoxy-5-methyl-6-[[4-(trifluoromethyl)phenyl]methoxy]pyrimidin-4-yl]methanone

[6-[(4-tert-butylphenyl)methoxy]-2-methoxy-5-methylpyrimidin-4-yl]-[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone;[4-[(4-tert-butylphenyl)methoxy]-3-methyl-2-pyridinyl]-[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone;[4-[(4-tert-butylphenyl)methoxy]-3-methyl-2-pyridinyl]-[4-[[(1R,2S)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methoxy]-5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methoxy]-5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-[4-[[(1R,2S)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone;[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[2-methoxy-5-methyl-6-[[4-(trifluoromethyl)phenyl]methoxy]pyrimidin-4-yl]methanone;[4-[[(1R,2S)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[2-methoxy-5-methyl-6-[[4-(trifluoromethyl)phenyl]methoxy]pyrimidin-4-yl]methanone (PubChem CID 159683687) has the molecular formula C204H282F12N26O24 and a molecular weight of 3710.63 g/mol. Its IUPAC name is [6-[(4-tert-butylphenyl)methoxy]-2-methoxy-5-methylpyrimidin-4-yl]-[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone;[4-[(4-tert-butylphenyl)methoxy]-3-methyl-2-pyridinyl]-[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone;[4-[(4-tert-butylphenyl)methoxy]-3-methyl-2-pyridinyl]-[4-[[(1R,2S)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methoxy]-5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methoxy]-5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-[4-[[(1R,2S)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone;[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[2-methoxy-5-methyl-6-[[4-(trifluoromethyl)phenyl]methoxy]pyrimidin-4-yl]methanone;[4-[[(1R,2S)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[2-methoxy-5-methyl-6-[[4-(trifluoromethyl)phenyl]methoxy]pyrimidin-4-yl]methanone.

Molecular Properties

Compound Name[6-[(4-tert-butylphenyl)methoxy]-2-methoxy-5-methylpyrimidin-4-yl]-[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone;[4-[(4-tert-butylphenyl)methoxy]-3-methyl-2-pyridinyl]-[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone;[4-[(4-tert-butylphenyl)methoxy]-3-methyl-2-pyridinyl]-[4-[[(1R,2S)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methoxy]-5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methoxy]-5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-[4-[[(1R,2S)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone;[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[2-methoxy-5-methyl-6-[[4-(trifluoromethyl)phenyl]methoxy]pyrimidin-4-yl]methanone;[4-[[(1R,2S)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[2-methoxy-5-methyl-6-[[4-(trifluoromethyl)phenyl]methoxy]pyrimidin-4-yl]methanone
PubChem CID159683687
Molecular FormulaC204H282F12N26O24
Molecular Weight3710.63 g/mol
Exact Mass3708.15
IUPAC Name[6-[(4-tert-butylphenyl)methoxy]-2-methoxy-5-methylpyrimidin-4-yl]-[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone;[4-[(4-tert-butylphenyl)methoxy]-3-methyl-2-pyridinyl]-[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone;[4-[(4-tert-butylphenyl)methoxy]-3-methyl-2-pyridinyl]-[4-[[(1R,2S)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methoxy]-5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methoxy]-5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-[4-[[(1R,2S)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone;[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[2-methoxy-5-methyl-6-[[4-(trifluoromethyl)phenyl]methoxy]pyrimidin-4-yl]methanone;[4-[[(1R,2S)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[2-methoxy-5-methyl-6-[[4-(trifluoromethyl)phenyl]methoxy]pyrimidin-4-yl]methanone
SMILESCO[C@@H]1CCCC[C@@H]1NC1CCN(C(=O)c2nc(C(F)(F)F)nc(OCc3ccc(C(C)(C)C)cc3)c2C)CC1.CO[C@@H]1CCCC[C@@H]1NC1CCN(C(=O)c2nccc(OCc3ccc(C(C)(C)C)cc3)c2C)CC1.CO[C@H]1CCCC[C@H]1NC1CCN(C(=O)c2nc(C(F)(F)F)nc(OCc3ccc(C(C)(C)C)cc3)c2C)CC1.CO[C@H]1CCCC[C@H]1NC1CCN(C(=O)c2nccc(OCc3ccc(C(C)(C)C)cc3)c2C)CC1.COc1nc(OCc2ccc(C(C)(C)C)cc2)c(C)c(C(=O)N2CCC(N[C@H]3CCCC[C@H]3OC)CC2)n1.COc1nc(OCc2ccc(C(F)(F)F)cc2)c(C)c(C(=O)N2CCC(N[C@@H]3CCCC[C@@H]3OC)CC2)n1.COc1nc(OCc2ccc(C(F)(F)F)cc2)c(C)c(C(=O)N2CCC(N[C@H]3CCCC[C@H]3OC)CC2)n1
InChIInChI=1S/2C30H41F3N4O3.C30H44N4O4.2C30H43N3O3.2C27H35F3N4O4/c2*1-19-25(27(38)37-16-14-22(15-17-37)34-23-8-6-7-9-24(23)39-5)35-28(30(31,32)33)36-26(19)40-18-20-10-12-21(13-11-20)29(2,3)4;1-20-26(28(35)34-17-15-23(16-18-34)31-24-9-7-8-10-25(24)36-5)32-29(37-6)33-27(20)38-19-21-11-13-22(14-12-21)30(2,3)4;2*1-21-26(36-20-22-10-12-23(13-11-22)30(2,3)4)14-17-31-28(21)29(34)33-18-15-24(16-19-33)32-25-8-6-7-9-27(25)35-5;2*1-17-23(25(35)34-14-12-20(13-15-34)31-21-6-4-5-7-22(21)36-2)32-26(37-3)33-24(17)38-16-18-8-10-19(11-9-18)27(28,29)30/h2*10-13,22-24,34H,6-9,14-18H2,1-5H3;11-14,23-25,31H,7-10,15-19H2,1-6H3;2*10-14,17,24-25,27,32H,6-9,15-16,18-20H2,1-5H3;2*8-11,20-22,31H,4-7,12-16H2,1-3H3/t2*23-,24+;24-,25+;2*25-,27+;2*21-,22+/m1001010/s1
InChIKeyMVNFEYIFIYGUQW-QEIOMJHASA-N
XLogP36.41
TPSA537.97 Ų
H-Bond Donors7
H-Bond Acceptors43
Rotatable Bonds52
Heavy Atoms266
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003710.63
LogP ≤ 536.41
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1043

Analyze [6-[(4-tert-butylphenyl)methoxy]-2-methoxy-5-methylpyrimidin-4-yl]-[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone;[4-[(4-tert-butylphenyl)methoxy]-3-methyl-2-pyridinyl]-[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone;[4-[(4-tert-butylphenyl)methoxy]-3-methyl-2-pyridinyl]-[4-[[(1R,2S)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methoxy]-5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methoxy]-5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-[4-[[(1R,2S)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone;[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[2-methoxy-5-methyl-6-[[4-(trifluoromethyl)phenyl]methoxy]pyrimidin-4-yl]methanone;[4-[[(1R,2S)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[2-methoxy-5-methyl-6-[[4-(trifluoromethyl)phenyl]methoxy]pyrimidin-4-yl]methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [6-[(4-tert-butylphenyl)methoxy]-2-methoxy-5-methylpyrimidin-4-yl]-[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone;[4-[(4-tert-butylphenyl)methoxy]-3-methyl-2-pyridinyl]-[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone;[4-[(4-tert-butylphenyl)methoxy]-3-methyl-2-pyridinyl]-[4-[[(1R,2S)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methoxy]-5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methoxy]-5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-[4-[[(1R,2S)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone;[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[2-methoxy-5-methyl-6-[[4-(trifluoromethyl)phenyl]methoxy]pyrimidin-4-yl]methanone;[4-[[(1R,2S)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[2-methoxy-5-methyl-6-[[4-(trifluoromethyl)phenyl]methoxy]pyrimidin-4-yl]methanone?
The IUPAC name of [6-[(4-tert-butylphenyl)methoxy]-2-methoxy-5-methylpyrimidin-4-yl]-[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone;[4-[(4-tert-butylphenyl)methoxy]-3-methyl-2-pyridinyl]-[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone;[4-[(4-tert-butylphenyl)methoxy]-3-methyl-2-pyridinyl]-[4-[[(1R,2S)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methoxy]-5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methoxy]-5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-[4-[[(1R,2S)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone;[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[2-methoxy-5-methyl-6-[[4-(trifluoromethyl)phenyl]methoxy]pyrimidin-4-yl]methanone;[4-[[(1R,2S)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[2-methoxy-5-methyl-6-[[4-(trifluoromethyl)phenyl]methoxy]pyrimidin-4-yl]methanone (CID 159683687) is [6-[(4-tert-butylphenyl)methoxy]-2-methoxy-5-methylpyrimidin-4-yl]-[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone;[4-[(4-tert-butylphenyl)methoxy]-3-methyl-2-pyridinyl]-[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone;[4-[(4-tert-butylphenyl)methoxy]-3-methyl-2-pyridinyl]-[4-[[(1R,2S)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methoxy]-5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methoxy]-5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-[4-[[(1R,2S)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone;[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[2-methoxy-5-methyl-6-[[4-(trifluoromethyl)phenyl]methoxy]pyrimidin-4-yl]methanone;[4-[[(1R,2S)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[2-methoxy-5-methyl-6-[[4-(trifluoromethyl)phenyl]methoxy]pyrimidin-4-yl]methanone.
What is the SMILES notation for [6-[(4-tert-butylphenyl)methoxy]-2-methoxy-5-methylpyrimidin-4-yl]-[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone;[4-[(4-tert-butylphenyl)methoxy]-3-methyl-2-pyridinyl]-[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone;[4-[(4-tert-butylphenyl)methoxy]-3-methyl-2-pyridinyl]-[4-[[(1R,2S)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methoxy]-5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methoxy]-5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-[4-[[(1R,2S)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone;[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[2-methoxy-5-methyl-6-[[4-(trifluoromethyl)phenyl]methoxy]pyrimidin-4-yl]methanone;[4-[[(1R,2S)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[2-methoxy-5-methyl-6-[[4-(trifluoromethyl)phenyl]methoxy]pyrimidin-4-yl]methanone?
The canonical SMILES for [6-[(4-tert-butylphenyl)methoxy]-2-methoxy-5-methylpyrimidin-4-yl]-[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone;[4-[(4-tert-butylphenyl)methoxy]-3-methyl-2-pyridinyl]-[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone;[4-[(4-tert-butylphenyl)methoxy]-3-methyl-2-pyridinyl]-[4-[[(1R,2S)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methoxy]-5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methoxy]-5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-[4-[[(1R,2S)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone;[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[2-methoxy-5-methyl-6-[[4-(trifluoromethyl)phenyl]methoxy]pyrimidin-4-yl]methanone;[4-[[(1R,2S)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[2-methoxy-5-methyl-6-[[4-(trifluoromethyl)phenyl]methoxy]pyrimidin-4-yl]methanone is CO[C@@H]1CCCC[C@@H]1NC1CCN(C(=O)c2nc(C(F)(F)F)nc(OCc3ccc(C(C)(C)C)cc3)c2C)CC1.CO[C@@H]1CCCC[C@@H]1NC1CCN(C(=O)c2nccc(OCc3ccc(C(C)(C)C)cc3)c2C)CC1.CO[C@H]1CCCC[C@H]1NC1CCN(C(=O)c2nc(C(F)(F)F)nc(OCc3ccc(C(C)(C)C)cc3)c2C)CC1.CO[C@H]1CCCC[C@H]1NC1CCN(C(=O)c2nccc(OCc3ccc(C(C)(C)C)cc3)c2C)CC1.COc1nc(OCc2ccc(C(C)(C)C)cc2)c(C)c(C(=O)N2CCC(N[C@H]3CCCC[C@H]3OC)CC2)n1.COc1nc(OCc2ccc(C(F)(F)F)cc2)c(C)c(C(=O)N2CCC(N[C@@H]3CCCC[C@@H]3OC)CC2)n1.COc1nc(OCc2ccc(C(F)(F)F)cc2)c(C)c(C(=O)N2CCC(N[C@H]3CCCC[C@H]3OC)CC2)n1.
What is the InChIKey of [6-[(4-tert-butylphenyl)methoxy]-2-methoxy-5-methylpyrimidin-4-yl]-[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone;[4-[(4-tert-butylphenyl)methoxy]-3-methyl-2-pyridinyl]-[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone;[4-[(4-tert-butylphenyl)methoxy]-3-methyl-2-pyridinyl]-[4-[[(1R,2S)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methoxy]-5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methoxy]-5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-[4-[[(1R,2S)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone;[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[2-methoxy-5-methyl-6-[[4-(trifluoromethyl)phenyl]methoxy]pyrimidin-4-yl]methanone;[4-[[(1R,2S)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[2-methoxy-5-methyl-6-[[4-(trifluoromethyl)phenyl]methoxy]pyrimidin-4-yl]methanone?
The InChIKey is MVNFEYIFIYGUQW-QEIOMJHASA-N. The full InChI is InChI=1S/2C30H41F3N4O3.C30H44N4O4.2C30H43N3O3.2C27H35F3N4O4/c2*1-19-25(27(38)37-16-14-22(15-17-37)34-23-8-6-7-9-24(23)39-5)35-28(30(31,32)33)36-26(19)40-18-20-10-12-21(13-11-20)29(2,3)4;1-20-26(28(35)34-17-15-23(16-18-34)31-24-9-7-8-10-25(24)36-5)32-29(37-6)33-27(20)38-19-21-11-13-22(14-12-21)30(2,3)4;2*1-21-26(36-20-22-10-12-23(13-11-22)30(2,3)4)14-17-31-28(21)29(34)33-18-15-24(16-19-33)32-25-8-6-7-9-27(25)35-5;2*1-17-23(25(35)34-14-12-20(13-15-34)31-21-6-4-5-7-22(21)36-2)32-26(37-3)33-24(17)38-16-18-8-10-19(11-9-18)27(28,29)30/h2*10-13,22-24,34H,6-9,14-18H2,1-5H3;11-14,23-25,31H,7-10,15-19H2,1-6H3;2*10-14,17,24-25,27,32H,6-9,15-16,18-20H2,1-5H3;2*8-11,20-22,31H,4-7,12-16H2,1-3H3/t2*23-,24+;24-,25+;2*25-,27+;2*21-,22+/m1001010/s1.
What are the key properties of [6-[(4-tert-butylphenyl)methoxy]-2-methoxy-5-methylpyrimidin-4-yl]-[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone;[4-[(4-tert-butylphenyl)methoxy]-3-methyl-2-pyridinyl]-[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone;[4-[(4-tert-butylphenyl)methoxy]-3-methyl-2-pyridinyl]-[4-[[(1R,2S)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methoxy]-5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methoxy]-5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-[4-[[(1R,2S)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone;[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[2-methoxy-5-methyl-6-[[4-(trifluoromethyl)phenyl]methoxy]pyrimidin-4-yl]methanone;[4-[[(1R,2S)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[2-methoxy-5-methyl-6-[[4-(trifluoromethyl)phenyl]methoxy]pyrimidin-4-yl]methanone?
[6-[(4-tert-butylphenyl)methoxy]-2-methoxy-5-methylpyrimidin-4-yl]-[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone;[4-[(4-tert-butylphenyl)methoxy]-3-methyl-2-pyridinyl]-[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone;[4-[(4-tert-butylphenyl)methoxy]-3-methyl-2-pyridinyl]-[4-[[(1R,2S)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methoxy]-5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methoxy]-5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-[4-[[(1R,2S)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone;[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[2-methoxy-5-methyl-6-[[4-(trifluoromethyl)phenyl]methoxy]pyrimidin-4-yl]methanone;[4-[[(1R,2S)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[2-methoxy-5-methyl-6-[[4-(trifluoromethyl)phenyl]methoxy]pyrimidin-4-yl]methanone has a molecular weight of 3710.63 g/mol, XLogP of 36.41, 52 rotatable bonds, 7 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(4-tert-butylphenyl)methoxy]-2-methoxy-5-methylpyrimidin-4-yl]-[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone;[4-[(4-tert-butylphenyl)methoxy]-3-methyl-2-pyridinyl]-[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone;[4-[(4-tert-butylphenyl)methoxy]-3-methyl-2-pyridinyl]-[4-[[(1R,2S)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methoxy]-5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methoxy]-5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-[4-[[(1R,2S)-2-methoxycyclohexyl]amino]piperidin-1-yl]methanone;[4-[[(1S,2R)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[2-methoxy-5-methyl-6-[[4-(trifluoromethyl)phenyl]methoxy]pyrimidin-4-yl]methanone;[4-[[(1R,2S)-2-methoxycyclohexyl]amino]piperidin-1-yl]-[2-methoxy-5-methyl-6-[[4-(trifluoromethyl)phenyl]methoxy]pyrimidin-4-yl]methanone is sourced from PubChem (CID 159683687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).