1-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl-[(3S,5R)-1-[5-chloro-2-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]-5-ethylpyrrolidin-3-yl]amino]pyrimidin-5-yl]-3-methylimidazolidin-2-one;1-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl-[(3S,5R)-1-(2,5-dichloropyrimidin-4-yl)-5-ethylpyrrolidin-3-yl]amino]pyrimidin-5-yl]-3-methylimidazolidin-2-one;piperidin-4-ol

C64H73Cl3F12N18O4 — CID 157205650

About 1-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl-[(3S,5R)-1-[5-chloro-2-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]-5-ethylpyrrolidin-3-yl]amino]pyrimidin-5-yl]-3-methylimidazolidin-2-one;1-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl-[(3S,5R)-1-(2,5-dichloropyrimidin-4-yl)-5-ethylpyrrolidin-3-yl]amino]pyrimidin-5-yl]-3-methylimidazolidin-2-one;piperidin-4-ol

1-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl-[(3S,5R)-1-[5-chloro-2-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]-5-ethylpyrrolidin-3-yl]amino]pyrimidin-5-yl]-3-methylimidazolidin-2-one;1-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl-[(3S,5R)-1-(2,5-dichloropyrimidin-4-yl)-5-ethylpyrrolidin-3-yl]amino]pyrimidin-5-yl]-3-methylimidazolidin-2-one;piperidin-4-ol (PubChem CID 157205650) has the molecular formula C64H73Cl3F12N18O4 and a molecular weight of 1492.74 g/mol. Its IUPAC name is 1-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl-[(3S,5R)-1-[5-chloro-2-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]-5-ethylpyrrolidin-3-yl]amino]pyrimidin-5-yl]-3-methylimidazolidin-2-one;1-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl-[(3S,5R)-1-(2,5-dichloropyrimidin-4-yl)-5-ethylpyrrolidin-3-yl]amino]pyrimidin-5-yl]-3-methylimidazolidin-2-one;piperidin-4-ol.

Molecular Properties

• Compound Name: 1-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl-[(3S,5R)-1-[5-chloro-2-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]-5-ethylpyrrolidin-3-yl]amino]pyrimidin-5-yl]-3-methylimidazolidin-2-one;1-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl-[(3S,5R)-1-(2,5-dichloropyrimidin-4-yl)-5-ethylpyrrolidin-3-yl]amino]pyrimidin-5-yl]-3-methylimidazolidin-2-one;piperidin-4-ol
• PubChem CID: 157205650
• Molecular Formula: C64H73Cl3F12N18O4
• Molecular Weight: 1492.74 g/mol
• Exact Mass: 1490.49
• IUPAC Name: 1-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl-[(3S,5R)-1-[5-chloro-2-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]-5-ethylpyrrolidin-3-yl]amino]pyrimidin-5-yl]-3-methylimidazolidin-2-one;1-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl-[(3S,5R)-1-(2,5-dichloropyrimidin-4-yl)-5-ethylpyrrolidin-3-yl]amino]pyrimidin-5-yl]-3-methylimidazolidin-2-one;piperidin-4-ol
• SMILES: CC[C@@H]1C[C@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ncc(N3CCN(C)C3=O)cn2)CN1c1nc(Cl)ncc1Cl.CC[C@@H]1C[C@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ncc(N3CCN(C)C3=O)cn2)CN1c1nc(N2CCC(O)CC2)ncc1Cl.OC1CCNCC1
• InChI: InChI=1S/C32H36ClF6N9O2.C27H26Cl2F6N8O.C5H11NO/c1-3-22-13-23(18-47(22)27-26(33)16-42-29(43-27)45-6-4-25(49)5-7-45)48(28-40-14-24(15-41-28)46-9-8-44(2)30(46)50)17-19-10-20(31(34,35)36)12-21(11-19)32(37,38)39;1-3-18-9-19(14-42(18)22-21(28)12-36-23(29)39-22)43(24-37-10-20(11-38-24)41-5-4-40(2)25(41)44)13-15-6-16(26(30,31)32)8-17(7-15)27(33,34)35;7-5-1-3-6-4-2-5/h10-12,14-16,22-23,25,49H,3-9,13,17-18H2,1-2H3;6-8,10-12,18-19H,3-5,9,13-14H2,1-2H3;5-7H,1-4H2/t22-,23+;18-,19+;/m11./s1
• InChIKey: ARIAFZWURPCLAW-JOKNMYJVSA-N
• XLogP: 12.13
• TPSA: 218.91 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 15
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1492.74
LogP ≤ 5	12.13
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl-[(3S,5R)-1-[5-chloro-2-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]-5-ethylpyrrolidin-3-yl]amino]pyrimidin-5-yl]-3-methylimidazolidin-2-one;1-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl-[(3S,5R)-1-(2,5-dichloropyrimidin-4-yl)-5-ethylpyrrolidin-3-yl]amino]pyrimidin-5-yl]-3-methylimidazolidin-2-one;piperidin-4-ol?

The IUPAC name of 1-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl-[(3S,5R)-1-[5-chloro-2-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]-5-ethylpyrrolidin-3-yl]amino]pyrimidin-5-yl]-3-methylimidazolidin-2-one;1-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl-[(3S,5R)-1-(2,5-dichloropyrimidin-4-yl)-5-ethylpyrrolidin-3-yl]amino]pyrimidin-5-yl]-3-methylimidazolidin-2-one;piperidin-4-ol (CID 157205650) is 1-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl-[(3S,5R)-1-[5-chloro-2-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]-5-ethylpyrrolidin-3-yl]amino]pyrimidin-5-yl]-3-methylimidazolidin-2-one;1-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl-[(3S,5R)-1-(2,5-dichloropyrimidin-4-yl)-5-ethylpyrrolidin-3-yl]amino]pyrimidin-5-yl]-3-methylimidazolidin-2-one;piperidin-4-ol.

What is the SMILES notation for 1-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl-[(3S,5R)-1-[5-chloro-2-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]-5-ethylpyrrolidin-3-yl]amino]pyrimidin-5-yl]-3-methylimidazolidin-2-one;1-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl-[(3S,5R)-1-(2,5-dichloropyrimidin-4-yl)-5-ethylpyrrolidin-3-yl]amino]pyrimidin-5-yl]-3-methylimidazolidin-2-one;piperidin-4-ol?

The canonical SMILES for 1-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl-[(3S,5R)-1-[5-chloro-2-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]-5-ethylpyrrolidin-3-yl]amino]pyrimidin-5-yl]-3-methylimidazolidin-2-one;1-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl-[(3S,5R)-1-(2,5-dichloropyrimidin-4-yl)-5-ethylpyrrolidin-3-yl]amino]pyrimidin-5-yl]-3-methylimidazolidin-2-one;piperidin-4-ol is CC[C@@H]1C[C@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ncc(N3CCN(C)C3=O)cn2)CN1c1nc(Cl)ncc1Cl.CC[C@@H]1C[C@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ncc(N3CCN(C)C3=O)cn2)CN1c1nc(N2CCC(O)CC2)ncc1Cl.OC1CCNCC1.

What is the InChIKey of 1-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl-[(3S,5R)-1-[5-chloro-2-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]-5-ethylpyrrolidin-3-yl]amino]pyrimidin-5-yl]-3-methylimidazolidin-2-one;1-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl-[(3S,5R)-1-(2,5-dichloropyrimidin-4-yl)-5-ethylpyrrolidin-3-yl]amino]pyrimidin-5-yl]-3-methylimidazolidin-2-one;piperidin-4-ol?

The InChIKey is ARIAFZWURPCLAW-JOKNMYJVSA-N. The full InChI is InChI=1S/C32H36ClF6N9O2.C27H26Cl2F6N8O.C5H11NO/c1-3-22-13-23(18-47(22)27-26(33)16-42-29(43-27)45-6-4-25(49)5-7-45)48(28-40-14-24(15-41-28)46-9-8-44(2)30(46)50)17-19-10-20(31(34,35)36)12-21(11-19)32(37,38)39;1-3-18-9-19(14-42(18)22-21(28)12-36-23(29)39-22)43(24-37-10-20(11-38-24)41-5-4-40(2)25(41)44)13-15-6-16(26(30,31)32)8-17(7-15)27(33,34)35;7-5-1-3-6-4-2-5/h10-12,14-16,22-23,25,49H,3-9,13,17-18H2,1-2H3;6-8,10-12,18-19H,3-5,9,13-14H2,1-2H3;5-7H,1-4H2/t22-,23+;18-,19+;/m11./s1.

What are the key properties of 1-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl-[(3S,5R)-1-[5-chloro-2-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]-5-ethylpyrrolidin-3-yl]amino]pyrimidin-5-yl]-3-methylimidazolidin-2-one;1-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl-[(3S,5R)-1-(2,5-dichloropyrimidin-4-yl)-5-ethylpyrrolidin-3-yl]amino]pyrimidin-5-yl]-3-methylimidazolidin-2-one;piperidin-4-ol?

1-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl-[(3S,5R)-1-[5-chloro-2-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]-5-ethylpyrrolidin-3-yl]amino]pyrimidin-5-yl]-3-methylimidazolidin-2-one;1-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl-[(3S,5R)-1-(2,5-dichloropyrimidin-4-yl)-5-ethylpyrrolidin-3-yl]amino]pyrimidin-5-yl]-3-methylimidazolidin-2-one;piperidin-4-ol has a molecular weight of 1492.74 g/mol, XLogP of 12.13, 15 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl-[(3S,5R)-1-[5-chloro-2-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]-5-ethylpyrrolidin-3-yl]amino]pyrimidin-5-yl]-3-methylimidazolidin-2-one;1-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl-[(3S,5R)-1-(2,5-dichloropyrimidin-4-yl)-5-ethylpyrrolidin-3-yl]amino]pyrimidin-5-yl]-3-methylimidazolidin-2-one;piperidin-4-ol is sourced from PubChem (CID 157205650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).