2-[(3R)-3-[1-[5-bromo-4-[[(1R)-1-(2-chloro-4-methylphenyl)ethyl]amino]pyrimidin-2-yl]azetidin-3-yl]piperidin-1-yl]ethanol;3-[(3R)-3-[1-[5-bromo-4-[[(1R)-1-(2-chloro-4-methylphenyl)ethyl]amino]pyrimidin-2-yl]azetidin-3-yl]piperidin-1-yl]-1-methylcyclobutane-1-carboxylic acid;3-[(3R)-3-[1-[5-chloro-4-[[(1R)-1-(2-chloro-4-methylphenyl)ethyl]amino]pyrimidin-2-yl]azetidin-3-yl]piperidin-1-yl]-1-methylcyclobutane-1-carboxylic acid;bis(3-[(3R)-3-[1-[4-[[(1R)-1-(2-chloro-4-methylphenyl)ethyl]amino]-5-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]piperidin-1-yl]-1-methylcyclobutane-1-carboxylic acid);methane

C134H175Br2Cl6F6N25O9 — CID 159666756

IUPAC2-[(3R)-3-[1-[5-bromo-4-[[(1R)-1-(2-chloro-4-methylphenyl)ethyl]amino]pyrimidin-2-yl]azetidin-3-yl]piperidin-1-yl]ethanol;3-[(3R)-3-[1-[5-bromo-4-[[(1R)-1-(2-chloro-4-methylphenyl)ethyl]amino]pyrimidin-2-yl]azetidin-3-yl]piperidin-1-yl]-1-methylcyclobutane-1-carboxylic acid;3-[(3R)-3-[1-[5-chloro-4-[[(1R)-1-(2-chloro-4-methylphenyl)ethyl]amino]pyrimidin-2-yl]azetidin-3-yl]piperidin-1-yl]-1-methylcyclobutane-1-carboxylic acid;bis(3-[(3R)-3-[1-[4-[[(1R)-1-(2-chloro-4-methylphenyl)ethyl]amino]-5-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]piperidin-1-yl]-1-methylcyclobutane-1-carboxylic acid);methane
SMILESC.Cc1ccc([C@@H](C)Nc2nc(N3CC([C@H]4CCCN(C5CC(C)(C(=O)O)C5)C4)C3)ncc2Br)c(Cl)c1.Cc1ccc([C@@H](C)Nc2nc(N3CC([C@H]4CCCN(C5CC(C)(C(=O)O)C5)C4)C3)ncc2C(F)(F)F)c(Cl)c1.Cc1ccc([C@@H](C)Nc2nc(N3CC([C@H]4CCCN(C5CC(C)(C(=O)O)C5)C4)C3)ncc2C(F)(F)F)c(Cl)c1.Cc1ccc([C@@H](C)Nc2nc(N3CC([C@H]4CCCN(C5CC(C)(C(=O)O)C5)C4)C3)ncc2Cl)c(Cl)c1.Cc1ccc([C@@H](C)Nc2nc(N3CC([C@H]4CCCN(CCO)C4)C3)ncc2Br)c(Cl)c1
InChIInChI=1S/2C28H35ClF3N5O2.C27H35BrClN5O2.C27H35Cl2N5O2.C23H31BrClN5O.CH4/c2*1-16-6-7-21(23(29)9-16)17(2)34-24-22(28(30,31)32)12-33-26(35-24)37-14-19(15-37)18-5-4-8-36(13-18)20-10-27(3,11-20)25(38)39;1-16-6-7-21(23(29)9-16)17(2)31-24-22(28)12-30-26(32-24)34-14-19(15-34)18-5-4-8-33(13-18)20-10-27(3,11-20)25(35)36;1-16-6-7-21(22(28)9-16)17(2)31-24-23(29)12-30-26(32-24)34-14-19(15-34)18-5-4-8-33(13-18)20-10-27(3,11-20)25(35)36;1-15-5-6-19(21(25)10-15)16(2)27-22-20(24)11-26-23(28-22)30-13-18(14-30)17-4-3-7-29(12-17)8-9-31;/h2*6-7,9,12,17-20H,4-5,8,10-11,13-15H2,1-3H3,(H,38,39)(H,33,34,35);2*6-7,9,12,17-20H,4-5,8,10-11,13-15H2,1-3H3,(H,35,36)(H,30,31,32);5-6,10-11,16-18,31H,3-4,7-9,12-14H2,1-2H3,(H,26,27,28);1H4/t4*17-,18+,20?,27?;16-,17+;/m11111./s1
InChIKeyMTMRULFETLUDDP-OCEOAPJXSA-N
MW2766.55 g/mol
LogP28.66
Rot. Bonds35

About 2-[(3R)-3-[1-[5-bromo-4-[[(1R)-1-(2-chloro-4-methylphenyl)ethyl]amino]pyrimidin-2-yl]azetidin-3-yl]piperidin-1-yl]ethanol;3-[(3R)-3-[1-[5-bromo-4-[[(1R)-1-(2-chloro-4-methylphenyl)ethyl]amino]pyrimidin-2-yl]azetidin-3-yl]piperidin-1-yl]-1-methylcyclobutane-1-carboxylic acid;3-[(3R)-3-[1-[5-chloro-4-[[(1R)-1-(2-chloro-4-methylphenyl)ethyl]amino]pyrimidin-2-yl]azetidin-3-yl]piperidin-1-yl]-1-methylcyclobutane-1-carboxylic acid;bis(3-[(3R)-3-[1-[4-[[(1R)-1-(2-chloro-4-methylphenyl)ethyl]amino]-5-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]piperidin-1-yl]-1-methylcyclobutane-1-carboxylic acid);methane

2-[(3R)-3-[1-[5-bromo-4-[[(1R)-1-(2-chloro-4-methylphenyl)ethyl]amino]pyrimidin-2-yl]azetidin-3-yl]piperidin-1-yl]ethanol;3-[(3R)-3-[1-[5-bromo-4-[[(1R)-1-(2-chloro-4-methylphenyl)ethyl]amino]pyrimidin-2-yl]azetidin-3-yl]piperidin-1-yl]-1-methylcyclobutane-1-carboxylic acid;3-[(3R)-3-[1-[5-chloro-4-[[(1R)-1-(2-chloro-4-methylphenyl)ethyl]amino]pyrimidin-2-yl]azetidin-3-yl]piperidin-1-yl]-1-methylcyclobutane-1-carboxylic acid;bis(3-[(3R)-3-[1-[4-[[(1R)-1-(2-chloro-4-methylphenyl)ethyl]amino]-5-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]piperidin-1-yl]-1-methylcyclobutane-1-carboxylic acid);methane (PubChem CID 159666756) has the molecular formula C134H175Br2Cl6F6N25O9 and a molecular weight of 2766.55 g/mol. Its IUPAC name is 2-[(3R)-3-[1-[5-bromo-4-[[(1R)-1-(2-chloro-4-methylphenyl)ethyl]amino]pyrimidin-2-yl]azetidin-3-yl]piperidin-1-yl]ethanol;3-[(3R)-3-[1-[5-bromo-4-[[(1R)-1-(2-chloro-4-methylphenyl)ethyl]amino]pyrimidin-2-yl]azetidin-3-yl]piperidin-1-yl]-1-methylcyclobutane-1-carboxylic acid;3-[(3R)-3-[1-[5-chloro-4-[[(1R)-1-(2-chloro-4-methylphenyl)ethyl]amino]pyrimidin-2-yl]azetidin-3-yl]piperidin-1-yl]-1-methylcyclobutane-1-carboxylic acid;bis(3-[(3R)-3-[1-[4-[[(1R)-1-(2-chloro-4-methylphenyl)ethyl]amino]-5-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]piperidin-1-yl]-1-methylcyclobutane-1-carboxylic acid);methane.

Molecular Properties

Compound Name2-[(3R)-3-[1-[5-bromo-4-[[(1R)-1-(2-chloro-4-methylphenyl)ethyl]amino]pyrimidin-2-yl]azetidin-3-yl]piperidin-1-yl]ethanol;3-[(3R)-3-[1-[5-bromo-4-[[(1R)-1-(2-chloro-4-methylphenyl)ethyl]amino]pyrimidin-2-yl]azetidin-3-yl]piperidin-1-yl]-1-methylcyclobutane-1-carboxylic acid;3-[(3R)-3-[1-[5-chloro-4-[[(1R)-1-(2-chloro-4-methylphenyl)ethyl]amino]pyrimidin-2-yl]azetidin-3-yl]piperidin-1-yl]-1-methylcyclobutane-1-carboxylic acid;bis(3-[(3R)-3-[1-[4-[[(1R)-1-(2-chloro-4-methylphenyl)ethyl]amino]-5-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]piperidin-1-yl]-1-methylcyclobutane-1-carboxylic acid);methane
PubChem CID159666756
Molecular FormulaC134H175Br2Cl6F6N25O9
Molecular Weight2766.55 g/mol
Exact Mass2760.04
IUPAC Name2-[(3R)-3-[1-[5-bromo-4-[[(1R)-1-(2-chloro-4-methylphenyl)ethyl]amino]pyrimidin-2-yl]azetidin-3-yl]piperidin-1-yl]ethanol;3-[(3R)-3-[1-[5-bromo-4-[[(1R)-1-(2-chloro-4-methylphenyl)ethyl]amino]pyrimidin-2-yl]azetidin-3-yl]piperidin-1-yl]-1-methylcyclobutane-1-carboxylic acid;3-[(3R)-3-[1-[5-chloro-4-[[(1R)-1-(2-chloro-4-methylphenyl)ethyl]amino]pyrimidin-2-yl]azetidin-3-yl]piperidin-1-yl]-1-methylcyclobutane-1-carboxylic acid;bis(3-[(3R)-3-[1-[4-[[(1R)-1-(2-chloro-4-methylphenyl)ethyl]amino]-5-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]piperidin-1-yl]-1-methylcyclobutane-1-carboxylic acid);methane
SMILESC.Cc1ccc([C@@H](C)Nc2nc(N3CC([C@H]4CCCN(C5CC(C)(C(=O)O)C5)C4)C3)ncc2Br)c(Cl)c1.Cc1ccc([C@@H](C)Nc2nc(N3CC([C@H]4CCCN(C5CC(C)(C(=O)O)C5)C4)C3)ncc2C(F)(F)F)c(Cl)c1.Cc1ccc([C@@H](C)Nc2nc(N3CC([C@H]4CCCN(C5CC(C)(C(=O)O)C5)C4)C3)ncc2C(F)(F)F)c(Cl)c1.Cc1ccc([C@@H](C)Nc2nc(N3CC([C@H]4CCCN(C5CC(C)(C(=O)O)C5)C4)C3)ncc2Cl)c(Cl)c1.Cc1ccc([C@@H](C)Nc2nc(N3CC([C@H]4CCCN(CCO)C4)C3)ncc2Br)c(Cl)c1
InChIInChI=1S/2C28H35ClF3N5O2.C27H35BrClN5O2.C27H35Cl2N5O2.C23H31BrClN5O.CH4/c2*1-16-6-7-21(23(29)9-16)17(2)34-24-22(28(30,31)32)12-33-26(35-24)37-14-19(15-37)18-5-4-8-36(13-18)20-10-27(3,11-20)25(38)39;1-16-6-7-21(23(29)9-16)17(2)31-24-22(28)12-30-26(32-24)34-14-19(15-34)18-5-4-8-33(13-18)20-10-27(3,11-20)25(35)36;1-16-6-7-21(22(28)9-16)17(2)31-24-23(29)12-30-26(32-24)34-14-19(15-34)18-5-4-8-33(13-18)20-10-27(3,11-20)25(35)36;1-15-5-6-19(21(25)10-15)16(2)27-22-20(24)11-26-23(28-22)30-13-18(14-30)17-4-3-7-29(12-17)8-9-31;/h2*6-7,9,12,17-20H,4-5,8,10-11,13-15H2,1-3H3,(H,38,39)(H,33,34,35);2*6-7,9,12,17-20H,4-5,8,10-11,13-15H2,1-3H3,(H,35,36)(H,30,31,32);5-6,10-11,16-18,31H,3-4,7-9,12-14H2,1-2H3,(H,26,27,28);1H4/t4*17-,18+,20?,27?;16-,17+;/m11111./s1
InChIKeyMTMRULFETLUDDP-OCEOAPJXSA-N
XLogP28.66
TPSA390.88 Ų
H-Bond Donors10
H-Bond Acceptors30
Rotatable Bonds35
Heavy Atoms182
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002766.55
LogP ≤ 528.66
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1030

Analyze 2-[(3R)-3-[1-[5-bromo-4-[[(1R)-1-(2-chloro-4-methylphenyl)ethyl]amino]pyrimidin-2-yl]azetidin-3-yl]piperidin-1-yl]ethanol;3-[(3R)-3-[1-[5-bromo-4-[[(1R)-1-(2-chloro-4-methylphenyl)ethyl]amino]pyrimidin-2-yl]azetidin-3-yl]piperidin-1-yl]-1-methylcyclobutane-1-carboxylic acid;3-[(3R)-3-[1-[5-chloro-4-[[(1R)-1-(2-chloro-4-methylphenyl)ethyl]amino]pyrimidin-2-yl]azetidin-3-yl]piperidin-1-yl]-1-methylcyclobutane-1-carboxylic acid;bis(3-[(3R)-3-[1-[4-[[(1R)-1-(2-chloro-4-methylphenyl)ethyl]amino]-5-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]piperidin-1-yl]-1-methylcyclobutane-1-carboxylic acid);methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-[1-[5-bromo-4-[[(1R)-1-(2-chloro-4-methylphenyl)ethyl]amino]pyrimidin-2-yl]azetidin-3-yl]piperidin-1-yl]ethanol;3-[(3R)-3-[1-[5-bromo-4-[[(1R)-1-(2-chloro-4-methylphenyl)ethyl]amino]pyrimidin-2-yl]azetidin-3-yl]piperidin-1-yl]-1-methylcyclobutane-1-carboxylic acid;3-[(3R)-3-[1-[5-chloro-4-[[(1R)-1-(2-chloro-4-methylphenyl)ethyl]amino]pyrimidin-2-yl]azetidin-3-yl]piperidin-1-yl]-1-methylcyclobutane-1-carboxylic acid;bis(3-[(3R)-3-[1-[4-[[(1R)-1-(2-chloro-4-methylphenyl)ethyl]amino]-5-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]piperidin-1-yl]-1-methylcyclobutane-1-carboxylic acid);methane?
The IUPAC name of 2-[(3R)-3-[1-[5-bromo-4-[[(1R)-1-(2-chloro-4-methylphenyl)ethyl]amino]pyrimidin-2-yl]azetidin-3-yl]piperidin-1-yl]ethanol;3-[(3R)-3-[1-[5-bromo-4-[[(1R)-1-(2-chloro-4-methylphenyl)ethyl]amino]pyrimidin-2-yl]azetidin-3-yl]piperidin-1-yl]-1-methylcyclobutane-1-carboxylic acid;3-[(3R)-3-[1-[5-chloro-4-[[(1R)-1-(2-chloro-4-methylphenyl)ethyl]amino]pyrimidin-2-yl]azetidin-3-yl]piperidin-1-yl]-1-methylcyclobutane-1-carboxylic acid;bis(3-[(3R)-3-[1-[4-[[(1R)-1-(2-chloro-4-methylphenyl)ethyl]amino]-5-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]piperidin-1-yl]-1-methylcyclobutane-1-carboxylic acid);methane (CID 159666756) is 2-[(3R)-3-[1-[5-bromo-4-[[(1R)-1-(2-chloro-4-methylphenyl)ethyl]amino]pyrimidin-2-yl]azetidin-3-yl]piperidin-1-yl]ethanol;3-[(3R)-3-[1-[5-bromo-4-[[(1R)-1-(2-chloro-4-methylphenyl)ethyl]amino]pyrimidin-2-yl]azetidin-3-yl]piperidin-1-yl]-1-methylcyclobutane-1-carboxylic acid;3-[(3R)-3-[1-[5-chloro-4-[[(1R)-1-(2-chloro-4-methylphenyl)ethyl]amino]pyrimidin-2-yl]azetidin-3-yl]piperidin-1-yl]-1-methylcyclobutane-1-carboxylic acid;bis(3-[(3R)-3-[1-[4-[[(1R)-1-(2-chloro-4-methylphenyl)ethyl]amino]-5-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]piperidin-1-yl]-1-methylcyclobutane-1-carboxylic acid);methane.
What is the SMILES notation for 2-[(3R)-3-[1-[5-bromo-4-[[(1R)-1-(2-chloro-4-methylphenyl)ethyl]amino]pyrimidin-2-yl]azetidin-3-yl]piperidin-1-yl]ethanol;3-[(3R)-3-[1-[5-bromo-4-[[(1R)-1-(2-chloro-4-methylphenyl)ethyl]amino]pyrimidin-2-yl]azetidin-3-yl]piperidin-1-yl]-1-methylcyclobutane-1-carboxylic acid;3-[(3R)-3-[1-[5-chloro-4-[[(1R)-1-(2-chloro-4-methylphenyl)ethyl]amino]pyrimidin-2-yl]azetidin-3-yl]piperidin-1-yl]-1-methylcyclobutane-1-carboxylic acid;bis(3-[(3R)-3-[1-[4-[[(1R)-1-(2-chloro-4-methylphenyl)ethyl]amino]-5-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]piperidin-1-yl]-1-methylcyclobutane-1-carboxylic acid);methane?
The canonical SMILES for 2-[(3R)-3-[1-[5-bromo-4-[[(1R)-1-(2-chloro-4-methylphenyl)ethyl]amino]pyrimidin-2-yl]azetidin-3-yl]piperidin-1-yl]ethanol;3-[(3R)-3-[1-[5-bromo-4-[[(1R)-1-(2-chloro-4-methylphenyl)ethyl]amino]pyrimidin-2-yl]azetidin-3-yl]piperidin-1-yl]-1-methylcyclobutane-1-carboxylic acid;3-[(3R)-3-[1-[5-chloro-4-[[(1R)-1-(2-chloro-4-methylphenyl)ethyl]amino]pyrimidin-2-yl]azetidin-3-yl]piperidin-1-yl]-1-methylcyclobutane-1-carboxylic acid;bis(3-[(3R)-3-[1-[4-[[(1R)-1-(2-chloro-4-methylphenyl)ethyl]amino]-5-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]piperidin-1-yl]-1-methylcyclobutane-1-carboxylic acid);methane is C.Cc1ccc([C@@H](C)Nc2nc(N3CC([C@H]4CCCN(C5CC(C)(C(=O)O)C5)C4)C3)ncc2Br)c(Cl)c1.Cc1ccc([C@@H](C)Nc2nc(N3CC([C@H]4CCCN(C5CC(C)(C(=O)O)C5)C4)C3)ncc2C(F)(F)F)c(Cl)c1.Cc1ccc([C@@H](C)Nc2nc(N3CC([C@H]4CCCN(C5CC(C)(C(=O)O)C5)C4)C3)ncc2C(F)(F)F)c(Cl)c1.Cc1ccc([C@@H](C)Nc2nc(N3CC([C@H]4CCCN(C5CC(C)(C(=O)O)C5)C4)C3)ncc2Cl)c(Cl)c1.Cc1ccc([C@@H](C)Nc2nc(N3CC([C@H]4CCCN(CCO)C4)C3)ncc2Br)c(Cl)c1.
What is the InChIKey of 2-[(3R)-3-[1-[5-bromo-4-[[(1R)-1-(2-chloro-4-methylphenyl)ethyl]amino]pyrimidin-2-yl]azetidin-3-yl]piperidin-1-yl]ethanol;3-[(3R)-3-[1-[5-bromo-4-[[(1R)-1-(2-chloro-4-methylphenyl)ethyl]amino]pyrimidin-2-yl]azetidin-3-yl]piperidin-1-yl]-1-methylcyclobutane-1-carboxylic acid;3-[(3R)-3-[1-[5-chloro-4-[[(1R)-1-(2-chloro-4-methylphenyl)ethyl]amino]pyrimidin-2-yl]azetidin-3-yl]piperidin-1-yl]-1-methylcyclobutane-1-carboxylic acid;bis(3-[(3R)-3-[1-[4-[[(1R)-1-(2-chloro-4-methylphenyl)ethyl]amino]-5-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]piperidin-1-yl]-1-methylcyclobutane-1-carboxylic acid);methane?
The InChIKey is MTMRULFETLUDDP-OCEOAPJXSA-N. The full InChI is InChI=1S/2C28H35ClF3N5O2.C27H35BrClN5O2.C27H35Cl2N5O2.C23H31BrClN5O.CH4/c2*1-16-6-7-21(23(29)9-16)17(2)34-24-22(28(30,31)32)12-33-26(35-24)37-14-19(15-37)18-5-4-8-36(13-18)20-10-27(3,11-20)25(38)39;1-16-6-7-21(23(29)9-16)17(2)31-24-22(28)12-30-26(32-24)34-14-19(15-34)18-5-4-8-33(13-18)20-10-27(3,11-20)25(35)36;1-16-6-7-21(22(28)9-16)17(2)31-24-23(29)12-30-26(32-24)34-14-19(15-34)18-5-4-8-33(13-18)20-10-27(3,11-20)25(35)36;1-15-5-6-19(21(25)10-15)16(2)27-22-20(24)11-26-23(28-22)30-13-18(14-30)17-4-3-7-29(12-17)8-9-31;/h2*6-7,9,12,17-20H,4-5,8,10-11,13-15H2,1-3H3,(H,38,39)(H,33,34,35);2*6-7,9,12,17-20H,4-5,8,10-11,13-15H2,1-3H3,(H,35,36)(H,30,31,32);5-6,10-11,16-18,31H,3-4,7-9,12-14H2,1-2H3,(H,26,27,28);1H4/t4*17-,18+,20?,27?;16-,17+;/m11111./s1.
What are the key properties of 2-[(3R)-3-[1-[5-bromo-4-[[(1R)-1-(2-chloro-4-methylphenyl)ethyl]amino]pyrimidin-2-yl]azetidin-3-yl]piperidin-1-yl]ethanol;3-[(3R)-3-[1-[5-bromo-4-[[(1R)-1-(2-chloro-4-methylphenyl)ethyl]amino]pyrimidin-2-yl]azetidin-3-yl]piperidin-1-yl]-1-methylcyclobutane-1-carboxylic acid;3-[(3R)-3-[1-[5-chloro-4-[[(1R)-1-(2-chloro-4-methylphenyl)ethyl]amino]pyrimidin-2-yl]azetidin-3-yl]piperidin-1-yl]-1-methylcyclobutane-1-carboxylic acid;bis(3-[(3R)-3-[1-[4-[[(1R)-1-(2-chloro-4-methylphenyl)ethyl]amino]-5-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]piperidin-1-yl]-1-methylcyclobutane-1-carboxylic acid);methane?
2-[(3R)-3-[1-[5-bromo-4-[[(1R)-1-(2-chloro-4-methylphenyl)ethyl]amino]pyrimidin-2-yl]azetidin-3-yl]piperidin-1-yl]ethanol;3-[(3R)-3-[1-[5-bromo-4-[[(1R)-1-(2-chloro-4-methylphenyl)ethyl]amino]pyrimidin-2-yl]azetidin-3-yl]piperidin-1-yl]-1-methylcyclobutane-1-carboxylic acid;3-[(3R)-3-[1-[5-chloro-4-[[(1R)-1-(2-chloro-4-methylphenyl)ethyl]amino]pyrimidin-2-yl]azetidin-3-yl]piperidin-1-yl]-1-methylcyclobutane-1-carboxylic acid;bis(3-[(3R)-3-[1-[4-[[(1R)-1-(2-chloro-4-methylphenyl)ethyl]amino]-5-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]piperidin-1-yl]-1-methylcyclobutane-1-carboxylic acid);methane has a molecular weight of 2766.55 g/mol, XLogP of 28.66, 35 rotatable bonds, 10 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-[1-[5-bromo-4-[[(1R)-1-(2-chloro-4-methylphenyl)ethyl]amino]pyrimidin-2-yl]azetidin-3-yl]piperidin-1-yl]ethanol;3-[(3R)-3-[1-[5-bromo-4-[[(1R)-1-(2-chloro-4-methylphenyl)ethyl]amino]pyrimidin-2-yl]azetidin-3-yl]piperidin-1-yl]-1-methylcyclobutane-1-carboxylic acid;3-[(3R)-3-[1-[5-chloro-4-[[(1R)-1-(2-chloro-4-methylphenyl)ethyl]amino]pyrimidin-2-yl]azetidin-3-yl]piperidin-1-yl]-1-methylcyclobutane-1-carboxylic acid;bis(3-[(3R)-3-[1-[4-[[(1R)-1-(2-chloro-4-methylphenyl)ethyl]amino]-5-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]piperidin-1-yl]-1-methylcyclobutane-1-carboxylic acid);methane is sourced from PubChem (CID 159666756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).