4-[4-[3-(4,5-dimethyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine;4-[4-[3-(2-ethoxy-1,3-thiazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine;4-[4-[3-(4-methyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine;4-[4-[3-(5-methyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine;4-[4-[3-(1,3-thiazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine;4-[4-[3-(1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine

C126H156N24O7S6 — CID 162228556

IUPAC4-[4-[3-(4,5-dimethyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine;4-[4-[3-(2-ethoxy-1,3-thiazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine;4-[4-[3-(4-methyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine;4-[4-[3-(5-methyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine;4-[4-[3-(1,3-thiazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine;4-[4-[3-(1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine
SMILESCCOc1nc(-c2c[nH]c3ncc(C4CCC(N5CCOCC5)CC4)cc23)cs1.Cc1cnc(-c2c[nH]c3ncc(C4CCC(N5CCOCC5)CC4)cc23)s1.Cc1csc(-c2c[nH]c3ncc(C4CCC(N5CCOCC5)CC4)cc23)n1.Cc1nc(-c2c[nH]c3ncc(C4CCC(N5CCOCC5)CC4)cc23)sc1C.c1nc(-c2c[nH]c3ncc(C4CCC(N5CCOCC5)CC4)cc23)cs1.c1ncc(-c2c[nH]c3ncc(C4CCC(N5CCOCC5)CC4)cc23)s1
InChIInChI=1S/C22H28N4O2S.C22H28N4OS.2C21H26N4OS.2C20H24N4OS/c1-2-28-22-25-20(14-29-22)19-13-24-21-18(19)11-16(12-23-21)15-3-5-17(6-4-15)26-7-9-27-10-8-26;1-14-15(2)28-22(25-14)20-13-24-21-19(20)11-17(12-23-21)16-3-5-18(6-4-16)26-7-9-27-10-8-26;1-14-13-27-21(24-14)19-12-23-20-18(19)10-16(11-22-20)15-2-4-17(5-3-15)25-6-8-26-9-7-25;1-14-11-24-21(27-14)19-13-23-20-18(19)10-16(12-22-20)15-2-4-17(5-3-15)25-6-8-26-9-7-25;1-3-16(24-5-7-25-8-6-24)4-2-14(1)15-9-17-18(19-12-21-13-26-19)11-23-20(17)22-10-15;1-3-16(24-5-7-25-8-6-24)4-2-14(1)15-9-17-18(19-12-26-13-23-19)11-22-20(17)21-10-15/h11-15,17H,2-10H2,1H3,(H,23,24);11-13,16,18H,3-10H2,1-2H3,(H,23,24);2*10-13,15,17H,2-9H2,1H3,(H,22,23);9-14,16H,1-8H2,(H,22,23);9-14,16H,1-8H2,(H,21,22)
InChIKeyZVCDNKXMBBBVEO-UHFFFAOYSA-N
MW2311.20 g/mol
LogP25.90
Rot. Bonds20

About 4-[4-[3-(4,5-dimethyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine;4-[4-[3-(2-ethoxy-1,3-thiazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine;4-[4-[3-(4-methyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine;4-[4-[3-(5-methyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine;4-[4-[3-(1,3-thiazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine;4-[4-[3-(1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine

4-[4-[3-(4,5-dimethyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine;4-[4-[3-(2-ethoxy-1,3-thiazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine;4-[4-[3-(4-methyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine;4-[4-[3-(5-methyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine;4-[4-[3-(1,3-thiazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine;4-[4-[3-(1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine (PubChem CID 162228556) has the molecular formula C126H156N24O7S6 and a molecular weight of 2311.20 g/mol. Its IUPAC name is 4-[4-[3-(4,5-dimethyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine;4-[4-[3-(2-ethoxy-1,3-thiazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine;4-[4-[3-(4-methyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine;4-[4-[3-(5-methyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine;4-[4-[3-(1,3-thiazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine;4-[4-[3-(1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine.

Molecular Properties

Compound Name4-[4-[3-(4,5-dimethyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine;4-[4-[3-(2-ethoxy-1,3-thiazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine;4-[4-[3-(4-methyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine;4-[4-[3-(5-methyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine;4-[4-[3-(1,3-thiazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine;4-[4-[3-(1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine
PubChem CID162228556
Molecular FormulaC126H156N24O7S6
Molecular Weight2311.20 g/mol
Exact Mass2309.09
IUPAC Name4-[4-[3-(4,5-dimethyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine;4-[4-[3-(2-ethoxy-1,3-thiazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine;4-[4-[3-(4-methyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine;4-[4-[3-(5-methyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine;4-[4-[3-(1,3-thiazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine;4-[4-[3-(1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine
SMILESCCOc1nc(-c2c[nH]c3ncc(C4CCC(N5CCOCC5)CC4)cc23)cs1.Cc1cnc(-c2c[nH]c3ncc(C4CCC(N5CCOCC5)CC4)cc23)s1.Cc1csc(-c2c[nH]c3ncc(C4CCC(N5CCOCC5)CC4)cc23)n1.Cc1nc(-c2c[nH]c3ncc(C4CCC(N5CCOCC5)CC4)cc23)sc1C.c1nc(-c2c[nH]c3ncc(C4CCC(N5CCOCC5)CC4)cc23)cs1.c1ncc(-c2c[nH]c3ncc(C4CCC(N5CCOCC5)CC4)cc23)s1
InChIInChI=1S/C22H28N4O2S.C22H28N4OS.2C21H26N4OS.2C20H24N4OS/c1-2-28-22-25-20(14-29-22)19-13-24-21-18(19)11-16(12-23-21)15-3-5-17(6-4-15)26-7-9-27-10-8-26;1-14-15(2)28-22(25-14)20-13-24-21-19(20)11-17(12-23-21)16-3-5-18(6-4-16)26-7-9-27-10-8-26;1-14-13-27-21(24-14)19-12-23-20-18(19)10-16(11-22-20)15-2-4-17(5-3-15)25-6-8-26-9-7-25;1-14-11-24-21(27-14)19-13-23-20-18(19)10-16(12-22-20)15-2-4-17(5-3-15)25-6-8-26-9-7-25;1-3-16(24-5-7-25-8-6-24)4-2-14(1)15-9-17-18(19-12-21-13-26-19)11-23-20(17)22-10-15;1-3-16(24-5-7-25-8-6-24)4-2-14(1)15-9-17-18(19-12-26-13-23-19)11-22-20(17)21-10-15/h11-15,17H,2-10H2,1H3,(H,23,24);11-13,16,18H,3-10H2,1-2H3,(H,23,24);2*10-13,15,17H,2-9H2,1H3,(H,22,23);9-14,16H,1-8H2,(H,22,23);9-14,16H,1-8H2,(H,21,22)
InChIKeyZVCDNKXMBBBVEO-UHFFFAOYSA-N
XLogP25.90
TPSA333.47 Ų
H-Bond Donors6
H-Bond Acceptors31
Rotatable Bonds20
Heavy Atoms163
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002311.20
LogP ≤ 525.90
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1031

Analyze 4-[4-[3-(4,5-dimethyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine;4-[4-[3-(2-ethoxy-1,3-thiazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine;4-[4-[3-(4-methyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine;4-[4-[3-(5-methyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine;4-[4-[3-(1,3-thiazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine;4-[4-[3-(1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(4,5-dimethyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine;4-[4-[3-(2-ethoxy-1,3-thiazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine;4-[4-[3-(4-methyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine;4-[4-[3-(5-methyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine;4-[4-[3-(1,3-thiazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine;4-[4-[3-(1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine?
The IUPAC name of 4-[4-[3-(4,5-dimethyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine;4-[4-[3-(2-ethoxy-1,3-thiazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine;4-[4-[3-(4-methyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine;4-[4-[3-(5-methyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine;4-[4-[3-(1,3-thiazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine;4-[4-[3-(1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine (CID 162228556) is 4-[4-[3-(4,5-dimethyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine;4-[4-[3-(2-ethoxy-1,3-thiazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine;4-[4-[3-(4-methyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine;4-[4-[3-(5-methyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine;4-[4-[3-(1,3-thiazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine;4-[4-[3-(1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine.
What is the SMILES notation for 4-[4-[3-(4,5-dimethyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine;4-[4-[3-(2-ethoxy-1,3-thiazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine;4-[4-[3-(4-methyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine;4-[4-[3-(5-methyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine;4-[4-[3-(1,3-thiazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine;4-[4-[3-(1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine?
The canonical SMILES for 4-[4-[3-(4,5-dimethyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine;4-[4-[3-(2-ethoxy-1,3-thiazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine;4-[4-[3-(4-methyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine;4-[4-[3-(5-methyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine;4-[4-[3-(1,3-thiazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine;4-[4-[3-(1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine is CCOc1nc(-c2c[nH]c3ncc(C4CCC(N5CCOCC5)CC4)cc23)cs1.Cc1cnc(-c2c[nH]c3ncc(C4CCC(N5CCOCC5)CC4)cc23)s1.Cc1csc(-c2c[nH]c3ncc(C4CCC(N5CCOCC5)CC4)cc23)n1.Cc1nc(-c2c[nH]c3ncc(C4CCC(N5CCOCC5)CC4)cc23)sc1C.c1nc(-c2c[nH]c3ncc(C4CCC(N5CCOCC5)CC4)cc23)cs1.c1ncc(-c2c[nH]c3ncc(C4CCC(N5CCOCC5)CC4)cc23)s1.
What is the InChIKey of 4-[4-[3-(4,5-dimethyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine;4-[4-[3-(2-ethoxy-1,3-thiazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine;4-[4-[3-(4-methyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine;4-[4-[3-(5-methyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine;4-[4-[3-(1,3-thiazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine;4-[4-[3-(1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine?
The InChIKey is ZVCDNKXMBBBVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2S.C22H28N4OS.2C21H26N4OS.2C20H24N4OS/c1-2-28-22-25-20(14-29-22)19-13-24-21-18(19)11-16(12-23-21)15-3-5-17(6-4-15)26-7-9-27-10-8-26;1-14-15(2)28-22(25-14)20-13-24-21-19(20)11-17(12-23-21)16-3-5-18(6-4-16)26-7-9-27-10-8-26;1-14-13-27-21(24-14)19-12-23-20-18(19)10-16(11-22-20)15-2-4-17(5-3-15)25-6-8-26-9-7-25;1-14-11-24-21(27-14)19-13-23-20-18(19)10-16(12-22-20)15-2-4-17(5-3-15)25-6-8-26-9-7-25;1-3-16(24-5-7-25-8-6-24)4-2-14(1)15-9-17-18(19-12-21-13-26-19)11-23-20(17)22-10-15;1-3-16(24-5-7-25-8-6-24)4-2-14(1)15-9-17-18(19-12-26-13-23-19)11-22-20(17)21-10-15/h11-15,17H,2-10H2,1H3,(H,23,24);11-13,16,18H,3-10H2,1-2H3,(H,23,24);2*10-13,15,17H,2-9H2,1H3,(H,22,23);9-14,16H,1-8H2,(H,22,23);9-14,16H,1-8H2,(H,21,22).
What are the key properties of 4-[4-[3-(4,5-dimethyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine;4-[4-[3-(2-ethoxy-1,3-thiazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine;4-[4-[3-(4-methyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine;4-[4-[3-(5-methyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine;4-[4-[3-(1,3-thiazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine;4-[4-[3-(1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine?
4-[4-[3-(4,5-dimethyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine;4-[4-[3-(2-ethoxy-1,3-thiazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine;4-[4-[3-(4-methyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine;4-[4-[3-(5-methyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine;4-[4-[3-(1,3-thiazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine;4-[4-[3-(1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine has a molecular weight of 2311.20 g/mol, XLogP of 25.90, 20 rotatable bonds, 6 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-(4,5-dimethyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine;4-[4-[3-(2-ethoxy-1,3-thiazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine;4-[4-[3-(4-methyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine;4-[4-[3-(5-methyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine;4-[4-[3-(1,3-thiazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine;4-[4-[3-(1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine is sourced from PubChem (CID 162228556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).