2-[[2-[2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[2-methoxy-4-(4-piperidin-1-ylpiperidin-1-yl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-(2-methoxy-4-pyrazol-1-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[2-methoxy-4-(4-pyrrolidin-1-ylpiperidin-1-yl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide

C138H179N39O15S6 — CID 157644462

IUPAC2-[[2-[2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[2-methoxy-4-(4-piperidin-1-ylpiperidin-1-yl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-(2-methoxy-4-pyrazol-1-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[2-methoxy-4-(4-pyrrolidin-1-ylpiperidin-1-yl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide
SMILESCC1=CSC(=N1)NC2=NC3=C(CCN3)C(=N2)NC4=CC=CC=C4S(=O)(=O)NC(C)C.CC(C)NS(=O)(=O)C1=CC=CC=C1NC2=NC(=NC3=C2CCN3)NC4=C(C=C(C=C4)N5CCC(CC5)N6CCCCC6)OC.CC(C)NS(=O)(=O)C1=CC=CC=C1NC2=NC(=NC3=C2CCN3)NC4=C(C=C(C=C4)N5CCC(CC5)N6CCCC6)OC.CC(C)NS(=O)(=O)C1=CC=CC=C1NC2=NC(=NC3=C2CCN3)NC4=C(C=C(C=C4)N5CCC(CC5)N6CCOCC6)OC.CC(C)NS(=O)(=O)C1=CC=CC=C1NC2=NC(=NC3=C2CCN3)NC4=C(C=C(C=C4)N5C=CC=N5)OC
InChIInChI=1S/C32H44N8O3S.C31H42N8O4S.C31H42N8O3S.C25H28N8O3S.C19H23N7O2S2/c1-22(2)38-44(41,42)29-10-6-5-9-27(29)34-31-25-13-16-33-30(25)36-32(37-31)35-26-12-11-24(21-28(26)43-3)40-19-14-23(15-20-40)39-17-7-4-8-18-39;1-21(2)37-44(40,41)28-7-5-4-6-26(28)33-30-24-10-13-32-29(24)35-31(36-30)34-25-9-8-23(20-27(25)42-3)38-14-11-22(12-15-38)39-16-18-43-19-17-39;1-21(2)37-43(40,41)28-9-5-4-8-26(28)33-30-24-12-15-32-29(24)35-31(36-30)34-25-11-10-23(20-27(25)42-3)39-18-13-22(14-19-39)38-16-6-7-17-38;1-16(2)32-37(34,35)22-8-5-4-7-20(22)28-24-18-11-13-26-23(18)30-25(31-24)29-19-10-9-17(15-21(19)36-3)33-14-6-12-27-33;1-11(2)26-30(27,28)15-7-5-4-6-14(15)22-17-13-8-9-20-16(13)23-18(24-17)25-19-21-12(3)10-29-19/h5-6,9-12,21-23,38H,4,7-8,13-20H2,1-3H3,(H3,33,34,35,36,37);4-9,20-22,37H,10-19H2,1-3H3,(H3,32,33,34,35,36);4-5,8-11,20-22,37H,6-7,12-19H2,1-3H3,(H3,32,33,34,35,36);4-10,12,14-16,32H,11,13H2,1-3H3,(H3,26,28,29,30,31);4-7,10-11,26H,8-9H2,1-3H3,(H3,20,21,22,23,24,25)
InChIKeyCOTARPKQASRCDI-UHFFFAOYSA-N
MW2816.60 g/mol
LogP
Rot. Bonds46

About 2-[[2-[2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[2-methoxy-4-(4-piperidin-1-ylpiperidin-1-yl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-(2-methoxy-4-pyrazol-1-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[2-methoxy-4-(4-pyrrolidin-1-ylpiperidin-1-yl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide

2-[[2-[2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[2-methoxy-4-(4-piperidin-1-ylpiperidin-1-yl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-(2-methoxy-4-pyrazol-1-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[2-methoxy-4-(4-pyrrolidin-1-ylpiperidin-1-yl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide (PubChem CID 157644462) has the molecular formula C138H179N39O15S6 and a molecular weight of 2816.60 g/mol. Its IUPAC name is 2-[[2-[2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[2-methoxy-4-(4-piperidin-1-ylpiperidin-1-yl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-(2-methoxy-4-pyrazol-1-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[2-methoxy-4-(4-pyrrolidin-1-ylpiperidin-1-yl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-[[2-[2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[2-methoxy-4-(4-piperidin-1-ylpiperidin-1-yl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-(2-methoxy-4-pyrazol-1-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[2-methoxy-4-(4-pyrrolidin-1-ylpiperidin-1-yl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide
PubChem CID157644462
Molecular FormulaC138H179N39O15S6
Molecular Weight2816.60 g/mol
Exact Mass2815.28
IUPAC Name2-[[2-[2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[2-methoxy-4-(4-piperidin-1-ylpiperidin-1-yl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-(2-methoxy-4-pyrazol-1-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[2-methoxy-4-(4-pyrrolidin-1-ylpiperidin-1-yl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide
SMILESCC1=CSC(=N1)NC2=NC3=C(CCN3)C(=N2)NC4=CC=CC=C4S(=O)(=O)NC(C)C.CC(C)NS(=O)(=O)C1=CC=CC=C1NC2=NC(=NC3=C2CCN3)NC4=C(C=C(C=C4)N5CCC(CC5)N6CCCCC6)OC.CC(C)NS(=O)(=O)C1=CC=CC=C1NC2=NC(=NC3=C2CCN3)NC4=C(C=C(C=C4)N5CCC(CC5)N6CCCC6)OC.CC(C)NS(=O)(=O)C1=CC=CC=C1NC2=NC(=NC3=C2CCN3)NC4=C(C=C(C=C4)N5CCC(CC5)N6CCOCC6)OC.CC(C)NS(=O)(=O)C1=CC=CC=C1NC2=NC(=NC3=C2CCN3)NC4=C(C=C(C=C4)N5C=CC=N5)OC
InChIInChI=1S/C32H44N8O3S.C31H42N8O4S.C31H42N8O3S.C25H28N8O3S.C19H23N7O2S2/c1-22(2)38-44(41,42)29-10-6-5-9-27(29)34-31-25-13-16-33-30(25)36-32(37-31)35-26-12-11-24(21-28(26)43-3)40-19-14-23(15-20-40)39-17-7-4-8-18-39;1-21(2)37-44(40,41)28-7-5-4-6-26(28)33-30-24-10-13-32-29(24)35-31(36-30)34-25-9-8-23(20-27(25)42-3)38-14-11-22(12-15-38)39-16-18-43-19-17-39;1-21(2)37-43(40,41)28-9-5-4-8-26(28)33-30-24-12-15-32-29(24)35-31(36-30)34-25-11-10-23(20-27(25)42-3)39-18-13-22(14-19-39)38-16-6-7-17-38;1-16(2)32-37(34,35)22-8-5-4-7-20(22)28-24-18-11-13-26-23(18)30-25(31-24)29-19-10-9-17(15-21(19)36-3)33-14-6-12-27-33;1-11(2)26-30(27,28)15-7-5-4-6-14(15)22-17-13-8-9-20-16(13)23-18(24-17)25-19-21-12(3)10-29-19/h5-6,9-12,21-23,38H,4,7-8,13-20H2,1-3H3,(H3,33,34,35,36,37);4-9,20-22,37H,10-19H2,1-3H3,(H3,32,33,34,35,36);4-5,8-11,20-22,37H,6-7,12-19H2,1-3H3,(H3,32,33,34,35,36);4-10,12,14-16,32H,11,13H2,1-3H3,(H3,26,28,29,30,31);4-7,10-11,26H,8-9H2,1-3H3,(H3,20,21,22,23,24,25)
InChIKeyCOTARPKQASRCDI-UHFFFAOYSA-N
XLogP
TPSA707.00 Ų
H-Bond Donors20
H-Bond Acceptors54
Rotatable Bonds46
Heavy Atoms198
Complexity4500

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002816.60
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1054

Analyze 2-[[2-[2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[2-methoxy-4-(4-piperidin-1-ylpiperidin-1-yl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-(2-methoxy-4-pyrazol-1-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[2-methoxy-4-(4-pyrrolidin-1-ylpiperidin-1-yl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[2-methoxy-4-(4-piperidin-1-ylpiperidin-1-yl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-(2-methoxy-4-pyrazol-1-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[2-methoxy-4-(4-pyrrolidin-1-ylpiperidin-1-yl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 2-[[2-[2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[2-methoxy-4-(4-piperidin-1-ylpiperidin-1-yl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-(2-methoxy-4-pyrazol-1-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[2-methoxy-4-(4-pyrrolidin-1-ylpiperidin-1-yl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide (CID 157644462) is 2-[[2-[2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[2-methoxy-4-(4-piperidin-1-ylpiperidin-1-yl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-(2-methoxy-4-pyrazol-1-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[2-methoxy-4-(4-pyrrolidin-1-ylpiperidin-1-yl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 2-[[2-[2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[2-methoxy-4-(4-piperidin-1-ylpiperidin-1-yl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-(2-methoxy-4-pyrazol-1-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[2-methoxy-4-(4-pyrrolidin-1-ylpiperidin-1-yl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 2-[[2-[2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[2-methoxy-4-(4-piperidin-1-ylpiperidin-1-yl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-(2-methoxy-4-pyrazol-1-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[2-methoxy-4-(4-pyrrolidin-1-ylpiperidin-1-yl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide is CC1=CSC(=N1)NC2=NC3=C(CCN3)C(=N2)NC4=CC=CC=C4S(=O)(=O)NC(C)C.CC(C)NS(=O)(=O)C1=CC=CC=C1NC2=NC(=NC3=C2CCN3)NC4=C(C=C(C=C4)N5CCC(CC5)N6CCCCC6)OC.CC(C)NS(=O)(=O)C1=CC=CC=C1NC2=NC(=NC3=C2CCN3)NC4=C(C=C(C=C4)N5CCC(CC5)N6CCCC6)OC.CC(C)NS(=O)(=O)C1=CC=CC=C1NC2=NC(=NC3=C2CCN3)NC4=C(C=C(C=C4)N5CCC(CC5)N6CCOCC6)OC.CC(C)NS(=O)(=O)C1=CC=CC=C1NC2=NC(=NC3=C2CCN3)NC4=C(C=C(C=C4)N5C=CC=N5)OC.
What is the InChIKey of 2-[[2-[2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[2-methoxy-4-(4-piperidin-1-ylpiperidin-1-yl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-(2-methoxy-4-pyrazol-1-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[2-methoxy-4-(4-pyrrolidin-1-ylpiperidin-1-yl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide?
The InChIKey is COTARPKQASRCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H44N8O3S.C31H42N8O4S.C31H42N8O3S.C25H28N8O3S.C19H23N7O2S2/c1-22(2)38-44(41,42)29-10-6-5-9-27(29)34-31-25-13-16-33-30(25)36-32(37-31)35-26-12-11-24(21-28(26)43-3)40-19-14-23(15-20-40)39-17-7-4-8-18-39;1-21(2)37-44(40,41)28-7-5-4-6-26(28)33-30-24-10-13-32-29(24)35-31(36-30)34-25-9-8-23(20-27(25)42-3)38-14-11-22(12-15-38)39-16-18-43-19-17-39;1-21(2)37-43(40,41)28-9-5-4-8-26(28)33-30-24-12-15-32-29(24)35-31(36-30)34-25-11-10-23(20-27(25)42-3)39-18-13-22(14-19-39)38-16-6-7-17-38;1-16(2)32-37(34,35)22-8-5-4-7-20(22)28-24-18-11-13-26-23(18)30-25(31-24)29-19-10-9-17(15-21(19)36-3)33-14-6-12-27-33;1-11(2)26-30(27,28)15-7-5-4-6-14(15)22-17-13-8-9-20-16(13)23-18(24-17)25-19-21-12(3)10-29-19/h5-6,9-12,21-23,38H,4,7-8,13-20H2,1-3H3,(H3,33,34,35,36,37);4-9,20-22,37H,10-19H2,1-3H3,(H3,32,33,34,35,36);4-5,8-11,20-22,37H,6-7,12-19H2,1-3H3,(H3,32,33,34,35,36);4-10,12,14-16,32H,11,13H2,1-3H3,(H3,26,28,29,30,31);4-7,10-11,26H,8-9H2,1-3H3,(H3,20,21,22,23,24,25).
What are the key properties of 2-[[2-[2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[2-methoxy-4-(4-piperidin-1-ylpiperidin-1-yl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-(2-methoxy-4-pyrazol-1-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[2-methoxy-4-(4-pyrrolidin-1-ylpiperidin-1-yl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide?
2-[[2-[2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[2-methoxy-4-(4-piperidin-1-ylpiperidin-1-yl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-(2-methoxy-4-pyrazol-1-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[2-methoxy-4-(4-pyrrolidin-1-ylpiperidin-1-yl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide has a molecular weight of 2816.60 g/mol, XLogP of not available, 46 rotatable bonds, 20 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[2-methoxy-4-(4-piperidin-1-ylpiperidin-1-yl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-(2-methoxy-4-pyrazol-1-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[2-methoxy-4-(4-pyrrolidin-1-ylpiperidin-1-yl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 157644462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).