6-N-(2-methoxyethyl)-4-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-4,6-diamine;2-methyl-2-[[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-4-yl]amino]propan-1-ol;1-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrrole-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,2-thiazole-5-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

C120H147F3N30O15S — CID 157077893

IUPAC6-N-(2-methoxyethyl)-4-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-4,6-diamine;2-methyl-2-[[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-4-yl]amino]propan-1-ol;1-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrrole-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,2-thiazole-5-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESCC(C)(CO)Nc1ccnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)n1.COCCNc1cc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)ncn1.Cn1cccc1C(=O)NC1CCC(Oc2cc(N3CCOCC3)cc3nccnc23)CC1.O=C(NC1CCC(Oc2cc(N3CCOCC3)cc3nccnc23)CC1)c1cc(C(F)(F)F)[nH]n1.O=C(NC1CCC(Oc2cc(N3CCOCC3)cc3nccnc23)CC1)c1ccns1
InChIInChI=1S/C26H35N7O3.C25H33N7O3.C24H29N5O3.C23H25F3N6O3.C22H25N5O3S/c1-26(2,17-34)32-23-7-8-29-25(31-23)30-18-3-5-20(6-4-18)36-22-16-19(33-11-13-35-14-12-33)15-21-24(22)28-10-9-27-21;1-33-11-8-27-23-16-24(30-17-29-23)31-18-2-4-20(5-3-18)35-22-15-19(32-9-12-34-13-10-32)14-21-25(22)28-7-6-26-21;1-28-10-2-3-21(28)24(30)27-17-4-6-19(7-5-17)32-22-16-18(29-11-13-31-14-12-29)15-20-23(22)26-9-8-25-20;24-23(25,26)20-13-18(30-31-20)22(33)29-14-1-3-16(4-2-14)35-19-12-15(32-7-9-34-10-8-32)11-17-21(19)28-6-5-27-17;28-22(20-5-6-25-31-20)26-15-1-3-17(4-2-15)30-19-14-16(27-9-11-29-12-10-27)13-18-21(19)24-8-7-23-18/h7-10,15-16,18,20,34H,3-6,11-14,17H2,1-2H3,(H2,29,30,31,32);6-7,14-18,20H,2-5,8-13H2,1H3,(H2,27,29,30,31);2-3,8-10,15-17,19H,4-7,11-14H2,1H3,(H,27,30);5-6,11-14,16H,1-4,7-10H2,(H,29,33)(H,30,31);5-8,13-15,17H,1-4,9-12H2,(H,26,28)
InChIKeyADENWSYZJFBUTN-UHFFFAOYSA-N
MW2338.75 g/mol
LogP15.65
Rot. Bonds32

About 6-N-(2-methoxyethyl)-4-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-4,6-diamine;2-methyl-2-[[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-4-yl]amino]propan-1-ol;1-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrrole-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,2-thiazole-5-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

6-N-(2-methoxyethyl)-4-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-4,6-diamine;2-methyl-2-[[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-4-yl]amino]propan-1-ol;1-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrrole-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,2-thiazole-5-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (PubChem CID 157077893) has the molecular formula C120H147F3N30O15S and a molecular weight of 2338.75 g/mol. Its IUPAC name is 6-N-(2-methoxyethyl)-4-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-4,6-diamine;2-methyl-2-[[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-4-yl]amino]propan-1-ol;1-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrrole-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,2-thiazole-5-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name6-N-(2-methoxyethyl)-4-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-4,6-diamine;2-methyl-2-[[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-4-yl]amino]propan-1-ol;1-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrrole-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,2-thiazole-5-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
PubChem CID157077893
Molecular FormulaC120H147F3N30O15S
Molecular Weight2338.75 g/mol
Exact Mass2337.13
IUPAC Name6-N-(2-methoxyethyl)-4-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-4,6-diamine;2-methyl-2-[[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-4-yl]amino]propan-1-ol;1-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrrole-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,2-thiazole-5-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESCC(C)(CO)Nc1ccnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)n1.COCCNc1cc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)ncn1.Cn1cccc1C(=O)NC1CCC(Oc2cc(N3CCOCC3)cc3nccnc23)CC1.O=C(NC1CCC(Oc2cc(N3CCOCC3)cc3nccnc23)CC1)c1cc(C(F)(F)F)[nH]n1.O=C(NC1CCC(Oc2cc(N3CCOCC3)cc3nccnc23)CC1)c1ccns1
InChIInChI=1S/C26H35N7O3.C25H33N7O3.C24H29N5O3.C23H25F3N6O3.C22H25N5O3S/c1-26(2,17-34)32-23-7-8-29-25(31-23)30-18-3-5-20(6-4-18)36-22-16-19(33-11-13-35-14-12-33)15-21-24(22)28-10-9-27-21;1-33-11-8-27-23-16-24(30-17-29-23)31-18-2-4-20(5-3-18)35-22-15-19(32-9-12-34-13-10-32)14-21-25(22)28-7-6-26-21;1-28-10-2-3-21(28)24(30)27-17-4-6-19(7-5-17)32-22-16-18(29-11-13-31-14-12-29)15-20-23(22)26-9-8-25-20;24-23(25,26)20-13-18(30-31-20)22(33)29-14-1-3-16(4-2-14)35-19-12-15(32-7-9-34-10-8-32)11-17-21(19)28-6-5-27-17;28-22(20-5-6-25-31-20)26-15-1-3-17(4-2-15)30-19-14-16(27-9-11-29-12-10-27)13-18-21(19)24-8-7-23-18/h7-10,15-16,18,20,34H,3-6,11-14,17H2,1-2H3,(H2,29,30,31,32);6-7,14-18,20H,2-5,8-13H2,1H3,(H2,27,29,30,31);2-3,8-10,15-17,19H,4-7,11-14H2,1H3,(H,27,30);5-6,11-14,16H,1-4,7-10H2,(H,29,33)(H,30,31);5-8,13-15,17H,1-4,9-12H2,(H,26,28)
InChIKeyADENWSYZJFBUTN-UHFFFAOYSA-N
XLogP15.65
TPSA500.34 Ų
H-Bond Donors9
H-Bond Acceptors42
Rotatable Bonds32
Heavy Atoms169
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002338.75
LogP ≤ 515.65
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-N-(2-methoxyethyl)-4-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-4,6-diamine;2-methyl-2-[[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-4-yl]amino]propan-1-ol;1-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrrole-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,2-thiazole-5-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-N-(2-methoxyethyl)-4-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-4,6-diamine;2-methyl-2-[[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-4-yl]amino]propan-1-ol;1-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrrole-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,2-thiazole-5-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 6-N-(2-methoxyethyl)-4-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-4,6-diamine;2-methyl-2-[[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-4-yl]amino]propan-1-ol;1-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrrole-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,2-thiazole-5-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (CID 157077893) is 6-N-(2-methoxyethyl)-4-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-4,6-diamine;2-methyl-2-[[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-4-yl]amino]propan-1-ol;1-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrrole-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,2-thiazole-5-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 6-N-(2-methoxyethyl)-4-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-4,6-diamine;2-methyl-2-[[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-4-yl]amino]propan-1-ol;1-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrrole-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,2-thiazole-5-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 6-N-(2-methoxyethyl)-4-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-4,6-diamine;2-methyl-2-[[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-4-yl]amino]propan-1-ol;1-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrrole-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,2-thiazole-5-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is CC(C)(CO)Nc1ccnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)n1.COCCNc1cc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)ncn1.Cn1cccc1C(=O)NC1CCC(Oc2cc(N3CCOCC3)cc3nccnc23)CC1.O=C(NC1CCC(Oc2cc(N3CCOCC3)cc3nccnc23)CC1)c1cc(C(F)(F)F)[nH]n1.O=C(NC1CCC(Oc2cc(N3CCOCC3)cc3nccnc23)CC1)c1ccns1.
What is the InChIKey of 6-N-(2-methoxyethyl)-4-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-4,6-diamine;2-methyl-2-[[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-4-yl]amino]propan-1-ol;1-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrrole-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,2-thiazole-5-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is ADENWSYZJFBUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N7O3.C25H33N7O3.C24H29N5O3.C23H25F3N6O3.C22H25N5O3S/c1-26(2,17-34)32-23-7-8-29-25(31-23)30-18-3-5-20(6-4-18)36-22-16-19(33-11-13-35-14-12-33)15-21-24(22)28-10-9-27-21;1-33-11-8-27-23-16-24(30-17-29-23)31-18-2-4-20(5-3-18)35-22-15-19(32-9-12-34-13-10-32)14-21-25(22)28-7-6-26-21;1-28-10-2-3-21(28)24(30)27-17-4-6-19(7-5-17)32-22-16-18(29-11-13-31-14-12-29)15-20-23(22)26-9-8-25-20;24-23(25,26)20-13-18(30-31-20)22(33)29-14-1-3-16(4-2-14)35-19-12-15(32-7-9-34-10-8-32)11-17-21(19)28-6-5-27-17;28-22(20-5-6-25-31-20)26-15-1-3-17(4-2-15)30-19-14-16(27-9-11-29-12-10-27)13-18-21(19)24-8-7-23-18/h7-10,15-16,18,20,34H,3-6,11-14,17H2,1-2H3,(H2,29,30,31,32);6-7,14-18,20H,2-5,8-13H2,1H3,(H2,27,29,30,31);2-3,8-10,15-17,19H,4-7,11-14H2,1H3,(H,27,30);5-6,11-14,16H,1-4,7-10H2,(H,29,33)(H,30,31);5-8,13-15,17H,1-4,9-12H2,(H,26,28).
What are the key properties of 6-N-(2-methoxyethyl)-4-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-4,6-diamine;2-methyl-2-[[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-4-yl]amino]propan-1-ol;1-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrrole-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,2-thiazole-5-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
6-N-(2-methoxyethyl)-4-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-4,6-diamine;2-methyl-2-[[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-4-yl]amino]propan-1-ol;1-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrrole-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,2-thiazole-5-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 2338.75 g/mol, XLogP of 15.65, 32 rotatable bonds, 9 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-methoxyethyl)-4-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-4,6-diamine;2-methyl-2-[[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-4-yl]amino]propan-1-ol;1-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrrole-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,2-thiazole-5-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 157077893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).