5-methyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carbonitrile;2-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]propan-2-ol;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(1,3,4-oxadiazol-2-yl)pyrimidin-2-amine;(1R)-2,2,2-trifluoro-1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol

C98H113F3N26O11 — CID 159396088

IUPAC5-methyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carbonitrile;2-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]propan-2-ol;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(1,3,4-oxadiazol-2-yl)pyrimidin-2-amine;(1R)-2,2,2-trifluoro-1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol
SMILESCC(C)(O)c1cnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1.Cc1cc(C#N)cnc1NC1CCC(Oc2cc(N3CCOCC3)cc3nccnc23)CC1.O[C@H](c1cnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1)C(F)(F)F.c1cnc2c(OC3CCC(Nc4ncc(-c5nnco5)cn4)CC3)cc(N3CCOCC3)cc2n1
InChIInChI=1S/C25H32N6O3.C25H28N6O2.C24H27F3N6O3.C24H26N8O3/c1-25(2,32)17-15-28-24(29-16-17)30-18-3-5-20(6-4-18)34-22-14-19(31-9-11-33-12-10-31)13-21-23(22)27-8-7-26-21;1-17-12-18(15-26)16-29-25(17)30-19-2-4-21(5-3-19)33-23-14-20(31-8-10-32-11-9-31)13-22-24(23)28-7-6-27-22;25-24(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;1-3-19(4-2-17(1)30-24-27-13-16(14-28-24)23-31-29-15-34-23)35-21-12-18(32-7-9-33-10-8-32)11-20-22(21)26-6-5-25-20/h7-8,13-16,18,20,32H,3-6,9-12H2,1-2H3,(H,28,29,30);6-7,12-14,16,19,21H,2-5,8-11H2,1H3,(H,29,30);5-6,11-14,16,18,22,34H,1-4,7-10H2,(H,30,31,32);5-6,11-15,17,19H,1-4,7-10H2,(H,27,28,30)/t;;16?,18?,22-;/m..1./s1
InChIKeyLMSRYOVMENXDJB-OASKMGNQSA-N
MW1888.15 g/mol
LogP13.89
Rot. Bonds23

About 5-methyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carbonitrile;2-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]propan-2-ol;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(1,3,4-oxadiazol-2-yl)pyrimidin-2-amine;(1R)-2,2,2-trifluoro-1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol

5-methyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carbonitrile;2-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]propan-2-ol;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(1,3,4-oxadiazol-2-yl)pyrimidin-2-amine;(1R)-2,2,2-trifluoro-1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol (PubChem CID 159396088) has the molecular formula C98H113F3N26O11 and a molecular weight of 1888.15 g/mol. Its IUPAC name is 5-methyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carbonitrile;2-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]propan-2-ol;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(1,3,4-oxadiazol-2-yl)pyrimidin-2-amine;(1R)-2,2,2-trifluoro-1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol.

Molecular Properties

Compound Name5-methyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carbonitrile;2-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]propan-2-ol;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(1,3,4-oxadiazol-2-yl)pyrimidin-2-amine;(1R)-2,2,2-trifluoro-1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol
PubChem CID159396088
Molecular FormulaC98H113F3N26O11
Molecular Weight1888.15 g/mol
Exact Mass1886.90
IUPAC Name5-methyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carbonitrile;2-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]propan-2-ol;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(1,3,4-oxadiazol-2-yl)pyrimidin-2-amine;(1R)-2,2,2-trifluoro-1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol
SMILESCC(C)(O)c1cnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1.Cc1cc(C#N)cnc1NC1CCC(Oc2cc(N3CCOCC3)cc3nccnc23)CC1.O[C@H](c1cnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1)C(F)(F)F.c1cnc2c(OC3CCC(Nc4ncc(-c5nnco5)cn4)CC3)cc(N3CCOCC3)cc2n1
InChIInChI=1S/C25H32N6O3.C25H28N6O2.C24H27F3N6O3.C24H26N8O3/c1-25(2,32)17-15-28-24(29-16-17)30-18-3-5-20(6-4-18)34-22-14-19(31-9-11-33-12-10-31)13-21-23(22)27-8-7-26-21;1-17-12-18(15-26)16-29-25(17)30-19-2-4-21(5-3-19)33-23-14-20(31-8-10-32-11-9-31)13-22-24(23)28-7-6-27-22;25-24(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;1-3-19(4-2-17(1)30-24-27-13-16(14-28-24)23-31-29-15-34-23)35-21-12-18(32-7-9-33-10-8-32)11-20-22(21)26-6-5-25-20/h7-8,13-16,18,20,32H,3-6,9-12H2,1-2H3,(H,28,29,30);6-7,12-14,16,19,21H,2-5,8-11H2,1H3,(H,29,30);5-6,11-14,16,18,22,34H,1-4,7-10H2,(H,30,31,32);5-6,11-15,17,19H,1-4,7-10H2,(H,27,28,30)/t;;16?,18?,22-;/m..1./s1
InChIKeyLMSRYOVMENXDJB-OASKMGNQSA-N
XLogP13.89
TPSA431.44 Ų
H-Bond Donors6
H-Bond Acceptors37
Rotatable Bonds23
Heavy Atoms138
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001888.15
LogP ≤ 513.89
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1037

Analyze 5-methyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carbonitrile;2-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]propan-2-ol;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(1,3,4-oxadiazol-2-yl)pyrimidin-2-amine;(1R)-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 5-methyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carbonitrile;2-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]propan-2-ol;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(1,3,4-oxadiazol-2-yl)pyrimidin-2-amine;(1R)-2,2,2-trifluoro-1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol?
The IUPAC name of 5-methyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carbonitrile;2-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]propan-2-ol;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(1,3,4-oxadiazol-2-yl)pyrimidin-2-amine;(1R)-2,2,2-trifluoro-1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol (CID 159396088) is 5-methyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carbonitrile;2-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]propan-2-ol;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(1,3,4-oxadiazol-2-yl)pyrimidin-2-amine;(1R)-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 5-methyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carbonitrile;2-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]propan-2-ol;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(1,3,4-oxadiazol-2-yl)pyrimidin-2-amine;(1R)-2,2,2-trifluoro-1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol?
The canonical SMILES for 5-methyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carbonitrile;2-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]propan-2-ol;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(1,3,4-oxadiazol-2-yl)pyrimidin-2-amine;(1R)-2,2,2-trifluoro-1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol is CC(C)(O)c1cnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1.Cc1cc(C#N)cnc1NC1CCC(Oc2cc(N3CCOCC3)cc3nccnc23)CC1.O[C@H](c1cnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1)C(F)(F)F.c1cnc2c(OC3CCC(Nc4ncc(-c5nnco5)cn4)CC3)cc(N3CCOCC3)cc2n1.
What is the InChIKey of 5-methyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carbonitrile;2-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]propan-2-ol;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(1,3,4-oxadiazol-2-yl)pyrimidin-2-amine;(1R)-2,2,2-trifluoro-1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol?
The InChIKey is LMSRYOVMENXDJB-OASKMGNQSA-N. The full InChI is InChI=1S/C25H32N6O3.C25H28N6O2.C24H27F3N6O3.C24H26N8O3/c1-25(2,32)17-15-28-24(29-16-17)30-18-3-5-20(6-4-18)34-22-14-19(31-9-11-33-12-10-31)13-21-23(22)27-8-7-26-21;1-17-12-18(15-26)16-29-25(17)30-19-2-4-21(5-3-19)33-23-14-20(31-8-10-32-11-9-31)13-22-24(23)28-7-6-27-22;25-24(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;1-3-19(4-2-17(1)30-24-27-13-16(14-28-24)23-31-29-15-34-23)35-21-12-18(32-7-9-33-10-8-32)11-20-22(21)26-6-5-25-20/h7-8,13-16,18,20,32H,3-6,9-12H2,1-2H3,(H,28,29,30);6-7,12-14,16,19,21H,2-5,8-11H2,1H3,(H,29,30);5-6,11-14,16,18,22,34H,1-4,7-10H2,(H,30,31,32);5-6,11-15,17,19H,1-4,7-10H2,(H,27,28,30)/t;;16?,18?,22-;/m..1./s1.
What are the key properties of 5-methyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carbonitrile;2-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]propan-2-ol;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(1,3,4-oxadiazol-2-yl)pyrimidin-2-amine;(1R)-2,2,2-trifluoro-1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol?
5-methyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carbonitrile;2-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]propan-2-ol;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(1,3,4-oxadiazol-2-yl)pyrimidin-2-amine;(1R)-2,2,2-trifluoro-1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol has a molecular weight of 1888.15 g/mol, XLogP of 13.89, 23 rotatable bonds, 6 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carbonitrile;2-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]propan-2-ol;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(1,3,4-oxadiazol-2-yl)pyrimidin-2-amine;(1R)-2,2,2-trifluoro-1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol is sourced from PubChem (CID 159396088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).