2-[[2-[4-(3,5-dimethylmorpholin-4-yl)-2-methoxyanilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[4-(3-hydroxypiperidin-1-yl)-2-methoxyanilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[2-methoxy-4-(3-morpholin-4-ylpropyl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[2-methoxy-4-(2-oxo-1-pyridinyl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[4-(1-piperidin-1-ylethyl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide

C139H177N35O18S5 — CID 160920127

About 2-[[2-[4-(3,5-dimethylmorpholin-4-yl)-2-methoxyanilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[4-(3-hydroxypiperidin-1-yl)-2-methoxyanilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[2-methoxy-4-(3-morpholin-4-ylpropyl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[2-methoxy-4-(2-oxo-1-pyridinyl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[4-(1-piperidin-1-ylethyl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide

2-[[2-[4-(3,5-dimethylmorpholin-4-yl)-2-methoxyanilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[4-(3-hydroxypiperidin-1-yl)-2-methoxyanilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[2-methoxy-4-(3-morpholin-4-ylpropyl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[2-methoxy-4-(2-oxo-1-pyridinyl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[4-(1-piperidin-1-ylethyl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide (PubChem CID 160920127) has the molecular formula C139H177N35O18S5 and a molecular weight of 2786.51 g/mol. Its IUPAC name is 2-[[2-[4-(3,5-dimethylmorpholin-4-yl)-2-methoxyanilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[4-(3-hydroxypiperidin-1-yl)-2-methoxyanilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[2-methoxy-4-(3-morpholin-4-ylpropyl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[2-methoxy-4-(2-oxo-1-pyridinyl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[4-(1-piperidin-1-ylethyl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

• Compound Name: 2-[[2-[4-(3,5-dimethylmorpholin-4-yl)-2-methoxyanilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[4-(3-hydroxypiperidin-1-yl)-2-methoxyanilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[2-methoxy-4-(3-morpholin-4-ylpropyl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[2-methoxy-4-(2-oxo-1-pyridinyl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[4-(1-piperidin-1-ylethyl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide
• PubChem CID: 160920127
• Molecular Formula: C139H177N35O18S5
• Molecular Weight: 2786.51 g/mol
• Exact Mass: 2784.26
• IUPAC Name: 2-[[2-[4-(3,5-dimethylmorpholin-4-yl)-2-methoxyanilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[4-(3-hydroxypiperidin-1-yl)-2-methoxyanilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[2-methoxy-4-(3-morpholin-4-ylpropyl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[2-methoxy-4-(2-oxo-1-pyridinyl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[4-(1-piperidin-1-ylethyl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide
• SMILES: CC(C)NS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(C(C)N3CCCCC3)cc2)nc2c1CCN2.COc1cc(-n2ccccc2=O)ccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)NC(C)C)n1)CCN2.COc1cc(CCCN2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)NC(C)C)n1)CCN2.COc1cc(N2C(C)COCC2C)ccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)NC(C)C)n1)CCN2.COc1cc(N2CCCC(O)C2)ccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)NC(C)C)n1)CCN2
• InChI: InChI=1S/C29H39N7O4S.C28H37N7O4S.C28H37N7O2S.C27H35N7O4S.C27H29N7O4S/c1-20(2)35-41(37,38)26-9-5-4-8-24(26)31-28-22-12-13-30-27(22)33-29(34-28)32-23-11-10-21(19-25(23)39-3)7-6-14-36-15-17-40-18-16-36;1-17(2)34-40(36,37)25-9-7-6-8-23(25)30-27-21-12-13-29-26(21)32-28(33-27)31-22-11-10-20(14-24(22)38-5)35-18(3)15-39-16-19(35)4;1-19(2)34-38(36,37)25-10-6-5-9-24(25)31-27-23-15-16-29-26(23)32-28(33-27)30-22-13-11-21(12-14-22)20(3)35-17-7-4-8-18-35;1-17(2)33-39(36,37)24-9-5-4-8-22(24)29-26-20-12-13-28-25(20)31-27(32-26)30-21-11-10-18(15-23(21)38-3)34-14-6-7-19(35)16-34;1-17(2)33-39(36,37)23-9-5-4-8-21(23)29-26-19-13-14-28-25(19)31-27(32-26)30-20-12-11-18(16-22(20)38-3)34-15-7-6-10-24(34)35/h4-5,8-11,19-20,35H,6-7,12-18H2,1-3H3,(H3,30,31,32,33,34);6-11,14,17-19,34H,12-13,15-16H2,1-5H3,(H3,29,30,31,32,33);5-6,9-14,19-20,34H,4,7-8,15-18H2,1-3H3,(H3,29,30,31,32,33);4-5,8-11,15,17,19,33,35H,6-7,12-14,16H2,1-3H3,(H3,28,29,30,31,32);4-12,15-17,33H,13-14H2,1-3H3,(H3,28,29,30,31,32)
• InChIKey: SRXNHDKHSLAQLI-UHFFFAOYSA-N
• XLogP: 20.66
• TPSA: 650.77 Ų
• H-Bond Donors: 21
• H-Bond Acceptors: 48
• Rotatable Bonds: 48
• Heavy Atoms: 197
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2786.51
LogP ≤ 5	20.66
H-Bond Donors ≤ 5	21
H-Bond Acceptors ≤ 10	48

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-(3,5-dimethylmorpholin-4-yl)-2-methoxyanilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[4-(3-hydroxypiperidin-1-yl)-2-methoxyanilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[2-methoxy-4-(3-morpholin-4-ylpropyl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[2-methoxy-4-(2-oxo-1-pyridinyl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[4-(1-piperidin-1-ylethyl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide?

The IUPAC name of 2-[[2-[4-(3,5-dimethylmorpholin-4-yl)-2-methoxyanilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[4-(3-hydroxypiperidin-1-yl)-2-methoxyanilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[2-methoxy-4-(3-morpholin-4-ylpropyl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[2-methoxy-4-(2-oxo-1-pyridinyl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[4-(1-piperidin-1-ylethyl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide (CID 160920127) is 2-[[2-[4-(3,5-dimethylmorpholin-4-yl)-2-methoxyanilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[4-(3-hydroxypiperidin-1-yl)-2-methoxyanilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[2-methoxy-4-(3-morpholin-4-ylpropyl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[2-methoxy-4-(2-oxo-1-pyridinyl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[4-(1-piperidin-1-ylethyl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide.

What is the SMILES notation for 2-[[2-[4-(3,5-dimethylmorpholin-4-yl)-2-methoxyanilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[4-(3-hydroxypiperidin-1-yl)-2-methoxyanilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[2-methoxy-4-(3-morpholin-4-ylpropyl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[2-methoxy-4-(2-oxo-1-pyridinyl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[4-(1-piperidin-1-ylethyl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide?

The canonical SMILES for 2-[[2-[4-(3,5-dimethylmorpholin-4-yl)-2-methoxyanilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[4-(3-hydroxypiperidin-1-yl)-2-methoxyanilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[2-methoxy-4-(3-morpholin-4-ylpropyl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[2-methoxy-4-(2-oxo-1-pyridinyl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[4-(1-piperidin-1-ylethyl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide is CC(C)NS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(C(C)N3CCCCC3)cc2)nc2c1CCN2.COc1cc(-n2ccccc2=O)ccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)NC(C)C)n1)CCN2.COc1cc(CCCN2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)NC(C)C)n1)CCN2.COc1cc(N2C(C)COCC2C)ccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)NC(C)C)n1)CCN2.COc1cc(N2CCCC(O)C2)ccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)NC(C)C)n1)CCN2.

What is the InChIKey of 2-[[2-[4-(3,5-dimethylmorpholin-4-yl)-2-methoxyanilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[4-(3-hydroxypiperidin-1-yl)-2-methoxyanilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[2-methoxy-4-(3-morpholin-4-ylpropyl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[2-methoxy-4-(2-oxo-1-pyridinyl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[4-(1-piperidin-1-ylethyl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide?

The InChIKey is SRXNHDKHSLAQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39N7O4S.C28H37N7O4S.C28H37N7O2S.C27H35N7O4S.C27H29N7O4S/c1-20(2)35-41(37,38)26-9-5-4-8-24(26)31-28-22-12-13-30-27(22)33-29(34-28)32-23-11-10-21(19-25(23)39-3)7-6-14-36-15-17-40-18-16-36;1-17(2)34-40(36,37)25-9-7-6-8-23(25)30-27-21-12-13-29-26(21)32-28(33-27)31-22-11-10-20(14-24(22)38-5)35-18(3)15-39-16-19(35)4;1-19(2)34-38(36,37)25-10-6-5-9-24(25)31-27-23-15-16-29-26(23)32-28(33-27)30-22-13-11-21(12-14-22)20(3)35-17-7-4-8-18-35;1-17(2)33-39(36,37)24-9-5-4-8-22(24)29-26-20-12-13-28-25(20)31-27(32-26)30-21-11-10-18(15-23(21)38-3)34-14-6-7-19(35)16-34;1-17(2)33-39(36,37)23-9-5-4-8-21(23)29-26-19-13-14-28-25(19)31-27(32-26)30-20-12-11-18(16-22(20)38-3)34-15-7-6-10-24(34)35/h4-5,8-11,19-20,35H,6-7,12-18H2,1-3H3,(H3,30,31,32,33,34);6-11,14,17-19,34H,12-13,15-16H2,1-5H3,(H3,29,30,31,32,33);5-6,9-14,19-20,34H,4,7-8,15-18H2,1-3H3,(H3,29,30,31,32,33);4-5,8-11,15,17,19,33,35H,6-7,12-14,16H2,1-3H3,(H3,28,29,30,31,32);4-12,15-17,33H,13-14H2,1-3H3,(H3,28,29,30,31,32).

What are the key properties of 2-[[2-[4-(3,5-dimethylmorpholin-4-yl)-2-methoxyanilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[4-(3-hydroxypiperidin-1-yl)-2-methoxyanilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[2-methoxy-4-(3-morpholin-4-ylpropyl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[2-methoxy-4-(2-oxo-1-pyridinyl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[4-(1-piperidin-1-ylethyl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide?

2-[[2-[4-(3,5-dimethylmorpholin-4-yl)-2-methoxyanilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[4-(3-hydroxypiperidin-1-yl)-2-methoxyanilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[2-methoxy-4-(3-morpholin-4-ylpropyl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[2-methoxy-4-(2-oxo-1-pyridinyl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[4-(1-piperidin-1-ylethyl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide has a molecular weight of 2786.51 g/mol, XLogP of 20.66, 48 rotatable bonds, 21 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-[4-(3,5-dimethylmorpholin-4-yl)-2-methoxyanilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[4-(3-hydroxypiperidin-1-yl)-2-methoxyanilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[2-methoxy-4-(3-morpholin-4-ylpropyl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[2-methoxy-4-(2-oxo-1-pyridinyl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[4-(1-piperidin-1-ylethyl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 160920127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).