N-cyclohexyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-cyclopentyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-[2-[[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]methyl]phenyl]-N-methylmethanesulfonamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-N-methylmethanesulfonamide;1-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]propan-2-one

C139H176N34O19S4 — CID 158245644

About N-cyclohexyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-cyclopentyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-[2-[[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]methyl]phenyl]-N-methylmethanesulfonamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-N-methylmethanesulfonamide;1-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]propan-2-one

N-cyclohexyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-cyclopentyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-[2-[[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]methyl]phenyl]-N-methylmethanesulfonamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-N-methylmethanesulfonamide;1-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]propan-2-one (PubChem CID 158245644) has the molecular formula C139H176N34O19S4 and a molecular weight of 2755.42 g/mol. Its IUPAC name is N-cyclohexyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-cyclopentyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-[2-[[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]methyl]phenyl]-N-methylmethanesulfonamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-N-methylmethanesulfonamide;1-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]propan-2-one.

Molecular Properties

• Compound Name: N-cyclohexyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-cyclopentyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-[2-[[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]methyl]phenyl]-N-methylmethanesulfonamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-N-methylmethanesulfonamide;1-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]propan-2-one
• PubChem CID: 158245644
• Molecular Formula: C139H176N34O19S4
• Molecular Weight: 2755.42 g/mol
• Exact Mass: 2753.27
• IUPAC Name: N-cyclohexyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-cyclopentyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-[2-[[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]methyl]phenyl]-N-methylmethanesulfonamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-N-methylmethanesulfonamide;1-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]propan-2-one
• SMILES: COc1cc(N2CCOCC2)ccc1Nc1nc(NCc2ccccc2N(C)S(C)(=O)=O)c2c(n1)NCC2C.COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3CC(C)=O)n1)C(C)CN2.COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3N(C)S(C)(=O)=O)n1)C(C)CN2.COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)NC3CCCC3)n1)C(C)CN2.COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)NC3CCCCC3)n1)C(C)CN2
• InChI: InChI=1S/C30H39N7O4S.C29H37N7O4S.C27H35N7O4S.C27H32N6O3.C26H33N7O4S/c1-20-19-31-28-27(20)29(32-24-10-6-7-11-26(24)42(38,39)36-21-8-4-3-5-9-21)35-30(34-28)33-23-13-12-22(18-25(23)40-2)37-14-16-41-17-15-37;1-19-18-30-27-26(19)28(31-23-9-5-6-10-25(23)41(37,38)35-20-7-3-4-8-20)34-29(33-27)32-22-12-11-21(17-24(22)39-2)36-13-15-40-16-14-36;1-18-16-28-25-24(18)26(29-17-19-7-5-6-8-22(19)33(2)39(4,35)36)32-27(31-25)30-21-10-9-20(15-23(21)37-3)34-11-13-38-14-12-34;1-17-16-28-25-24(17)26(29-21-7-5-4-6-19(21)14-18(2)34)32-27(31-25)30-22-9-8-20(15-23(22)35-3)33-10-12-36-13-11-33;1-17-16-27-24-23(17)25(28-19-7-5-6-8-21(19)32(2)38(4,34)35)31-26(30-24)29-20-10-9-18(15-22(20)36-3)33-11-13-37-14-12-33/h6-7,10-13,18,20-21,36H,3-5,8-9,14-17,19H2,1-2H3,(H3,31,32,33,34,35);5-6,9-12,17,19-20,35H,3-4,7-8,13-16,18H2,1-2H3,(H3,30,31,32,33,34);5-10,15,18H,11-14,16-17H2,1-4H3,(H3,28,29,30,31,32);4-9,15,17H,10-14,16H2,1-3H3,(H3,28,29,30,31,32);5-10,15,17H,11-14,16H2,1-4H3,(H3,27,28,29,30,31)
• InChIKey: GGBWBXYGGAJGEH-UHFFFAOYSA-N
• XLogP: 21.31
• TPSA: 602.02 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 49
• Rotatable Bonds: 43
• Heavy Atoms: 196
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2755.42
LogP ≤ 5	21.31
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	49

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-cyclopentyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-[2-[[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]methyl]phenyl]-N-methylmethanesulfonamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-N-methylmethanesulfonamide;1-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]propan-2-one?

The IUPAC name of N-cyclohexyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-cyclopentyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-[2-[[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]methyl]phenyl]-N-methylmethanesulfonamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-N-methylmethanesulfonamide;1-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]propan-2-one (CID 158245644) is N-cyclohexyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-cyclopentyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-[2-[[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]methyl]phenyl]-N-methylmethanesulfonamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-N-methylmethanesulfonamide;1-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]propan-2-one.

What is the SMILES notation for N-cyclohexyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-cyclopentyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-[2-[[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]methyl]phenyl]-N-methylmethanesulfonamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-N-methylmethanesulfonamide;1-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]propan-2-one?

The canonical SMILES for N-cyclohexyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-cyclopentyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-[2-[[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]methyl]phenyl]-N-methylmethanesulfonamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-N-methylmethanesulfonamide;1-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]propan-2-one is COc1cc(N2CCOCC2)ccc1Nc1nc(NCc2ccccc2N(C)S(C)(=O)=O)c2c(n1)NCC2C.COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3CC(C)=O)n1)C(C)CN2.COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3N(C)S(C)(=O)=O)n1)C(C)CN2.COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)NC3CCCC3)n1)C(C)CN2.COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)NC3CCCCC3)n1)C(C)CN2.

What is the InChIKey of N-cyclohexyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-cyclopentyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-[2-[[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]methyl]phenyl]-N-methylmethanesulfonamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-N-methylmethanesulfonamide;1-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]propan-2-one?

The InChIKey is GGBWBXYGGAJGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39N7O4S.C29H37N7O4S.C27H35N7O4S.C27H32N6O3.C26H33N7O4S/c1-20-19-31-28-27(20)29(32-24-10-6-7-11-26(24)42(38,39)36-21-8-4-3-5-9-21)35-30(34-28)33-23-13-12-22(18-25(23)40-2)37-14-16-41-17-15-37;1-19-18-30-27-26(19)28(31-23-9-5-6-10-25(23)41(37,38)35-20-7-3-4-8-20)34-29(33-27)32-22-12-11-21(17-24(22)39-2)36-13-15-40-16-14-36;1-18-16-28-25-24(18)26(29-17-19-7-5-6-8-22(19)33(2)39(4,35)36)32-27(31-25)30-21-10-9-20(15-23(21)37-3)34-11-13-38-14-12-34;1-17-16-28-25-24(17)26(29-21-7-5-4-6-19(21)14-18(2)34)32-27(31-25)30-22-9-8-20(15-23(22)35-3)33-10-12-36-13-11-33;1-17-16-27-24-23(17)25(28-19-7-5-6-8-21(19)32(2)38(4,34)35)31-26(30-24)29-20-10-9-18(15-22(20)36-3)33-11-13-37-14-12-33/h6-7,10-13,18,20-21,36H,3-5,8-9,14-17,19H2,1-2H3,(H3,31,32,33,34,35);5-6,9-12,17,19-20,35H,3-4,7-8,13-16,18H2,1-2H3,(H3,30,31,32,33,34);5-10,15,18H,11-14,16-17H2,1-4H3,(H3,28,29,30,31,32);4-9,15,17H,10-14,16H2,1-3H3,(H3,28,29,30,31,32);5-10,15,17H,11-14,16H2,1-4H3,(H3,27,28,29,30,31).

What are the key properties of N-cyclohexyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-cyclopentyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-[2-[[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]methyl]phenyl]-N-methylmethanesulfonamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-N-methylmethanesulfonamide;1-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]propan-2-one?

N-cyclohexyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-cyclopentyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-[2-[[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]methyl]phenyl]-N-methylmethanesulfonamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-N-methylmethanesulfonamide;1-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]propan-2-one has a molecular weight of 2755.42 g/mol, XLogP of 21.31, 43 rotatable bonds, 17 hydrogen bond donors, and 49 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclohexyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-cyclopentyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-[2-[[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]methyl]phenyl]-N-methylmethanesulfonamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-N-methylmethanesulfonamide;1-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]propan-2-one is sourced from PubChem (CID 158245644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).