5-fluoro-2-methylsulfanyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine;6-methylsulfanyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(1H-pyrazol-5-yl)pyridin-2-amine

C72H84FN19O6S2 — CID 157232776

IUPAC5-fluoro-2-methylsulfanyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine;6-methylsulfanyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(1H-pyrazol-5-yl)pyridin-2-amine
SMILESCSc1cc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)ncn1.CSc1ncc(F)c(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)n1.c1cc(-c2ccc(NC3CCC(Oc4cc(N5CCOCC5)cc5nccnc45)CC3)nc2)[nH]n1
InChIInChI=1S/C26H29N7O2.C23H27FN6O2S.C23H28N6O2S/c1-6-25(29-17-18(1)22-7-8-30-32-22)31-19-2-4-21(5-3-19)35-24-16-20(33-11-13-34-14-12-33)15-23-26(24)28-10-9-27-23;1-33-23-27-14-18(24)22(29-23)28-15-2-4-17(5-3-15)32-20-13-16(30-8-10-31-11-9-30)12-19-21(20)26-7-6-25-19;1-32-22-14-21(26-15-27-22)28-16-2-4-18(5-3-16)31-20-13-17(29-8-10-30-11-9-29)12-19-23(20)25-7-6-24-19/h1,6-10,15-17,19,21H,2-5,11-14H2,(H,29,31)(H,30,32);6-7,12-15,17H,2-5,8-11H2,1H3,(H,27,28,29);6-7,12-16,18H,2-5,8-11H2,1H3,(H,26,27,28)
InChIKeyAUHDMVDDDRZOIX-UHFFFAOYSA-N
MW1394.72 g/mol
LogP11.75
Rot. Bonds18

About 5-fluoro-2-methylsulfanyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine;6-methylsulfanyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(1H-pyrazol-5-yl)pyridin-2-amine

5-fluoro-2-methylsulfanyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine;6-methylsulfanyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(1H-pyrazol-5-yl)pyridin-2-amine (PubChem CID 157232776) has the molecular formula C72H84FN19O6S2 and a molecular weight of 1394.72 g/mol. Its IUPAC name is 5-fluoro-2-methylsulfanyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine;6-methylsulfanyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(1H-pyrazol-5-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-fluoro-2-methylsulfanyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine;6-methylsulfanyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(1H-pyrazol-5-yl)pyridin-2-amine
PubChem CID157232776
Molecular FormulaC72H84FN19O6S2
Molecular Weight1394.72 g/mol
Exact Mass1393.63
IUPAC Name5-fluoro-2-methylsulfanyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine;6-methylsulfanyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(1H-pyrazol-5-yl)pyridin-2-amine
SMILESCSc1cc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)ncn1.CSc1ncc(F)c(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)n1.c1cc(-c2ccc(NC3CCC(Oc4cc(N5CCOCC5)cc5nccnc45)CC3)nc2)[nH]n1
InChIInChI=1S/C26H29N7O2.C23H27FN6O2S.C23H28N6O2S/c1-6-25(29-17-18(1)22-7-8-30-32-22)31-19-2-4-21(5-3-19)35-24-16-20(33-11-13-34-14-12-33)15-23-26(24)28-10-9-27-23;1-33-23-27-14-18(24)22(29-23)28-15-2-4-17(5-3-15)32-20-13-16(30-8-10-31-11-9-30)12-19-21(20)26-7-6-25-19;1-32-22-14-21(26-15-27-22)28-16-2-4-18(5-3-16)31-20-13-17(29-8-10-30-11-9-29)12-19-23(20)25-7-6-24-19/h1,6-10,15-17,19,21H,2-5,11-14H2,(H,29,31)(H,30,32);6-7,12-15,17H,2-5,8-11H2,1H3,(H,27,28,29);6-7,12-16,18H,2-5,8-11H2,1H3,(H,26,27,28)
InChIKeyAUHDMVDDDRZOIX-UHFFFAOYSA-N
XLogP11.75
TPSA271.66 Ų
H-Bond Donors4
H-Bond Acceptors26
Rotatable Bonds18
Heavy Atoms100
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001394.72
LogP ≤ 511.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1026

Analyze 5-fluoro-2-methylsulfanyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine;6-methylsulfanyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(1H-pyrazol-5-yl)pyridin-2-amine with MolForge

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Related Compounds

4-[8-[4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]cyclohexyl]oxyquinoxalin-6-yl]-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-N-[5-(2H-tetrazol-5-yl)pyrimidin-2-yl]morpholin-2-amine
CID 156254595
4-N-[4-[8-[4-[[5-fluoro-6-(oxolan-3-ylamino)pyrimidin-4-yl]amino]cyclohexyl]oxyquinoxalin-6-yl]morpholin-2-yl]-5-methoxy-2-N-methyl-4-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-2,4-diamine
CID 156254604
6-cyclopropyl-2-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine;4-ethyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;5-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1H-pyrazol-3-amine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-4-propan-2-ylpyrimidin-2-amine;2,2,2-trifluoro-1-[6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-3-pyridinyl]ethanol
CID 157219929
N,N-dimethyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]pyridazin-3-amine;4-[8-[4-[(6-ethyl-2-methylpyrimidin-4-yl)methyl]cyclohexyl]oxyquinoxalin-6-yl]morpholine;3-methoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-3-(trifluoromethyl)pyridin-2-amine
CID 157879329
ethoxyethane;8-[4-[[5-(2-methoxyethoxy)-2-pyridinyl]amino]cyclohexyl]oxyquinoxalin-6-amine;8-[4-[(4-methoxy-2-pyridinyl)amino]cyclohexyl]oxyquinoxalin-6-amine;6-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine;8-[4-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]cyclohexyl]oxyquinoxalin-6-amine;8-[4-[(6-methyl-2-pyridinyl)amino]cyclohexyl]oxyquinoxalin-6-amine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(2,2,2-trifluoro-1-methoxyethyl)pyridin-2-amine
CID 158063088
6-methoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine;N-[4-(2-methyl-7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;N-[4-(3-methyl-7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;5-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazole-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)pyridin-2-amine
CID 158877392
4-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazole-2-carboxamide;5-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazole-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)pyridin-2-amine
CID 158925300
N-[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]-5-methyl-1,3-thiazole-2-carboxamide;N-[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazole-2-carboxamide;ethoxyethane;2-methyl-8-[4-(pyrimidin-2-ylamino)cyclohexyl]oxyquinoxalin-6-amine;3-methyl-8-[4-(pyrimidin-2-ylamino)cyclohexyl]oxyquinoxalin-6-amine;8-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]oxyquinoxalin-6-amine
CID 160163566
4-(methoxymethyl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine;3-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine;4-[8-[4-[[5-(4-methylpiperazin-1-yl)pyrimidin-2-yl]methyl]cyclohexyl]oxyquinoxalin-6-yl]morpholine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-6-(trifluoromethyl)pyridin-2-amine
CID 161230927
5-ethyl-2,6-dimethyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine;5-fluoro-2-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-4-N-(oxolan-3-yl)pyrimidine-2,4-diamine;5-(2-methyltetrazol-5-yl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine;(1S)-2,2,2-trifluoro-1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol
CID 161481727
6-cyclobutyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridazin-3-amine;8-[4-[(3,5-difluoro-2-pyridinyl)amino]cyclohexyl]oxyquinoxalin-6-amine;3-N,3-N-dimethyl-6-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridazine-3,6-diamine;8-[4-[(3,5-dimethyl-2-pyridinyl)amino]cyclohexyl]oxyquinoxalin-6-amine;ethoxyethane;8-[4-[(3-methoxy-2-pyridinyl)amino]cyclohexyl]oxyquinoxalin-6-amine;8-[4-[[3-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]oxyquinoxalin-6-amine
CID 161789174
6-methylsulfanyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine
CID 90454083

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methylsulfanyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine;6-methylsulfanyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(1H-pyrazol-5-yl)pyridin-2-amine?
The IUPAC name of 5-fluoro-2-methylsulfanyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine;6-methylsulfanyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(1H-pyrazol-5-yl)pyridin-2-amine (CID 157232776) is 5-fluoro-2-methylsulfanyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine;6-methylsulfanyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(1H-pyrazol-5-yl)pyridin-2-amine.
What is the SMILES notation for 5-fluoro-2-methylsulfanyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine;6-methylsulfanyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(1H-pyrazol-5-yl)pyridin-2-amine?
The canonical SMILES for 5-fluoro-2-methylsulfanyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine;6-methylsulfanyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(1H-pyrazol-5-yl)pyridin-2-amine is CSc1cc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)ncn1.CSc1ncc(F)c(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)n1.c1cc(-c2ccc(NC3CCC(Oc4cc(N5CCOCC5)cc5nccnc45)CC3)nc2)[nH]n1.
What is the InChIKey of 5-fluoro-2-methylsulfanyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine;6-methylsulfanyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(1H-pyrazol-5-yl)pyridin-2-amine?
The InChIKey is AUHDMVDDDRZOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O2.C23H27FN6O2S.C23H28N6O2S/c1-6-25(29-17-18(1)22-7-8-30-32-22)31-19-2-4-21(5-3-19)35-24-16-20(33-11-13-34-14-12-33)15-23-26(24)28-10-9-27-23;1-33-23-27-14-18(24)22(29-23)28-15-2-4-17(5-3-15)32-20-13-16(30-8-10-31-11-9-30)12-19-21(20)26-7-6-25-19;1-32-22-14-21(26-15-27-22)28-16-2-4-18(5-3-16)31-20-13-17(29-8-10-30-11-9-29)12-19-23(20)25-7-6-24-19/h1,6-10,15-17,19,21H,2-5,11-14H2,(H,29,31)(H,30,32);6-7,12-15,17H,2-5,8-11H2,1H3,(H,27,28,29);6-7,12-16,18H,2-5,8-11H2,1H3,(H,26,27,28).
What are the key properties of 5-fluoro-2-methylsulfanyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine;6-methylsulfanyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(1H-pyrazol-5-yl)pyridin-2-amine?
5-fluoro-2-methylsulfanyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine;6-methylsulfanyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(1H-pyrazol-5-yl)pyridin-2-amine has a molecular weight of 1394.72 g/mol, XLogP of 11.75, 18 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methylsulfanyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine;6-methylsulfanyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(1H-pyrazol-5-yl)pyridin-2-amine is sourced from PubChem (CID 157232776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).