1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol;[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]methanol;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-oxazole-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-2-carboxamide;(1S)-2,2,2-trifluoro-1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol

C116H136F3N29O16 — CID 162230469

IUPAC1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol;[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]methanol;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-oxazole-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-2-carboxamide;(1S)-2,2,2-trifluoro-1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol
SMILESCC(O)c1cnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1.O=C(NC1CCC(Oc2cc(N3CCOCC3)cc3nccnc23)CC1)c1ncccn1.O=C(NC1CCC(Oc2cc(N3CCOCC3)cc3nccnc23)CC1)c1ncco1.OCc1cnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1.O[C@@H](c1cnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1)C(F)(F)F
InChIInChI=1S/C24H27F3N6O3.C24H30N6O3.C23H26N6O3.C23H28N6O3.C22H25N5O4/c25-24(26,27)22(34)15-13-30-23(31-14-15)32-16-1-3-18(4-2-16)36-20-12-17(33-7-9-35-10-8-33)11-19-21(20)29-6-5-28-19;1-16(31)17-14-27-24(28-15-17)29-18-2-4-20(5-3-18)33-22-13-19(30-8-10-32-11-9-30)12-21-23(22)26-7-6-25-21;30-23(22-26-6-1-7-27-22)28-16-2-4-18(5-3-16)32-20-15-17(29-10-12-31-13-11-29)14-19-21(20)25-9-8-24-19;30-15-16-13-26-23(27-14-16)28-17-1-3-19(4-2-17)32-21-12-18(29-7-9-31-10-8-29)11-20-22(21)25-6-5-24-20;28-21(22-25-7-10-30-22)26-15-1-3-17(4-2-15)31-19-14-16(27-8-11-29-12-9-27)13-18-20(19)24-6-5-23-18/h5-6,11-14,16,18,22,34H,1-4,7-10H2,(H,30,31,32);6-7,12-16,18,20,31H,2-5,8-11H2,1H3,(H,27,28,29);1,6-9,14-16,18H,2-5,10-13H2,(H,28,30);5-6,11-14,17,19,30H,1-4,7-10,15H2,(H,26,27,28);5-7,10,13-15,17H,1-4,8-9,11-12H2,(H,26,28)/t16?,18?,22-;;;;/m0..../s1
InChIKeyZVIUFJWZQDEZSR-GQJYTGCFSA-N
MW2249.54 g/mol
LogP14.27
Rot. Bonds28

About 1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol;[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]methanol;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-oxazole-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-2-carboxamide;(1S)-2,2,2-trifluoro-1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol

1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol;[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]methanol;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-oxazole-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-2-carboxamide;(1S)-2,2,2-trifluoro-1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol (PubChem CID 162230469) has the molecular formula C116H136F3N29O16 and a molecular weight of 2249.54 g/mol. Its IUPAC name is 1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol;[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]methanol;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-oxazole-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-2-carboxamide;(1S)-2,2,2-trifluoro-1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol.

Molecular Properties

Compound Name1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol;[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]methanol;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-oxazole-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-2-carboxamide;(1S)-2,2,2-trifluoro-1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol
PubChem CID162230469
Molecular FormulaC116H136F3N29O16
Molecular Weight2249.54 g/mol
Exact Mass2248.07
IUPAC Name1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol;[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]methanol;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-oxazole-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-2-carboxamide;(1S)-2,2,2-trifluoro-1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol
SMILESCC(O)c1cnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1.O=C(NC1CCC(Oc2cc(N3CCOCC3)cc3nccnc23)CC1)c1ncccn1.O=C(NC1CCC(Oc2cc(N3CCOCC3)cc3nccnc23)CC1)c1ncco1.OCc1cnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1.O[C@@H](c1cnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1)C(F)(F)F
InChIInChI=1S/C24H27F3N6O3.C24H30N6O3.C23H26N6O3.C23H28N6O3.C22H25N5O4/c25-24(26,27)22(34)15-13-30-23(31-14-15)32-16-1-3-18(4-2-16)36-20-12-17(33-7-9-35-10-8-33)11-19-21(20)29-6-5-28-19;1-16(31)17-14-27-24(28-15-17)29-18-2-4-20(5-3-18)33-22-13-19(30-8-10-32-11-9-30)12-21-23(22)26-7-6-25-21;30-23(22-26-6-1-7-27-22)28-16-2-4-18(5-3-16)32-20-15-17(29-10-12-31-13-11-29)14-19-21(20)25-9-8-24-19;30-15-16-13-26-23(27-14-16)28-17-1-3-19(4-2-17)32-21-12-18(29-7-9-31-10-8-29)11-20-22(21)25-6-5-24-20;28-21(22-25-7-10-30-22)26-15-1-3-17(4-2-15)31-19-14-16(27-8-11-29-12-9-27)13-18-20(19)24-6-5-23-18/h5-6,11-14,16,18,22,34H,1-4,7-10H2,(H,30,31,32);6-7,12-16,18,20,31H,2-5,8-11H2,1H3,(H,27,28,29);1,6-9,14-16,18H,2-5,10-13H2,(H,28,30);5-6,11-14,17,19,30H,1-4,7-10,15H2,(H,26,27,28);5-7,10,13-15,17H,1-4,8-9,11-12H2,(H,26,28)/t16?,18?,22-;;;;/m0..../s1
InChIKeyZVIUFJWZQDEZSR-GQJYTGCFSA-N
XLogP14.27
TPSA521.53 Ų
H-Bond Donors8
H-Bond Acceptors43
Rotatable Bonds28
Heavy Atoms164
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002249.54
LogP ≤ 514.27
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1043

Analyze 1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol;[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]methanol;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-oxazole-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-2-carboxamide;(1S)-2,2,2-trifluoro-1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol;[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]methanol;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-oxazole-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-2-carboxamide;(1S)-2,2,2-trifluoro-1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol?
The IUPAC name of 1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol;[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]methanol;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-oxazole-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-2-carboxamide;(1S)-2,2,2-trifluoro-1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol (CID 162230469) is 1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol;[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]methanol;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-oxazole-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-2-carboxamide;(1S)-2,2,2-trifluoro-1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol.
What is the SMILES notation for 1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol;[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]methanol;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-oxazole-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-2-carboxamide;(1S)-2,2,2-trifluoro-1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol?
The canonical SMILES for 1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol;[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]methanol;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-oxazole-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-2-carboxamide;(1S)-2,2,2-trifluoro-1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol is CC(O)c1cnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1.O=C(NC1CCC(Oc2cc(N3CCOCC3)cc3nccnc23)CC1)c1ncccn1.O=C(NC1CCC(Oc2cc(N3CCOCC3)cc3nccnc23)CC1)c1ncco1.OCc1cnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1.O[C@@H](c1cnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1)C(F)(F)F.
What is the InChIKey of 1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol;[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]methanol;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-oxazole-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-2-carboxamide;(1S)-2,2,2-trifluoro-1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol?
The InChIKey is ZVIUFJWZQDEZSR-GQJYTGCFSA-N. The full InChI is InChI=1S/C24H27F3N6O3.C24H30N6O3.C23H26N6O3.C23H28N6O3.C22H25N5O4/c25-24(26,27)22(34)15-13-30-23(31-14-15)32-16-1-3-18(4-2-16)36-20-12-17(33-7-9-35-10-8-33)11-19-21(20)29-6-5-28-19;1-16(31)17-14-27-24(28-15-17)29-18-2-4-20(5-3-18)33-22-13-19(30-8-10-32-11-9-30)12-21-23(22)26-7-6-25-21;30-23(22-26-6-1-7-27-22)28-16-2-4-18(5-3-16)32-20-15-17(29-10-12-31-13-11-29)14-19-21(20)25-9-8-24-19;30-15-16-13-26-23(27-14-16)28-17-1-3-19(4-2-17)32-21-12-18(29-7-9-31-10-8-29)11-20-22(21)25-6-5-24-20;28-21(22-25-7-10-30-22)26-15-1-3-17(4-2-15)31-19-14-16(27-8-11-29-12-9-27)13-18-20(19)24-6-5-23-18/h5-6,11-14,16,18,22,34H,1-4,7-10H2,(H,30,31,32);6-7,12-16,18,20,31H,2-5,8-11H2,1H3,(H,27,28,29);1,6-9,14-16,18H,2-5,10-13H2,(H,28,30);5-6,11-14,17,19,30H,1-4,7-10,15H2,(H,26,27,28);5-7,10,13-15,17H,1-4,8-9,11-12H2,(H,26,28)/t16?,18?,22-;;;;/m0..../s1.
What are the key properties of 1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol;[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]methanol;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-oxazole-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-2-carboxamide;(1S)-2,2,2-trifluoro-1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol?
1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol;[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]methanol;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-oxazole-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-2-carboxamide;(1S)-2,2,2-trifluoro-1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol has a molecular weight of 2249.54 g/mol, XLogP of 14.27, 28 rotatable bonds, 8 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol;[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]methanol;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-oxazole-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-2-carboxamide;(1S)-2,2,2-trifluoro-1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol is sourced from PubChem (CID 162230469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).