2-[6-[2-[4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]anilino]-6-propan-2-ylpyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]propan-2-ol;N-[4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]phenyl]-7-[6-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-2-pyridinyl]-6-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-[6-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-2-pyridinyl]-N-[4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)phenyl]-6-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;2-[6-[2-[4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)anilino]-6-propan-2-ylpyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]propan-2-ol;2-[6-[2-[4-(4-methylpiperazin-1-yl)anilino]-6-propan-2-ylpyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]propan-2-ol;2-[6-[2-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-6-propan-2-ylpyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]propan-2-ol

C187H247N47O6S2 — CID 164971856

IUPAC2-[6-[2-[4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]anilino]-6-propan-2-ylpyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]propan-2-ol;N-[4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]phenyl]-7-[6-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-2-pyridinyl]-6-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-[6-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-2-pyridinyl]-N-[4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)phenyl]-6-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;2-[6-[2-[4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)anilino]-6-propan-2-ylpyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]propan-2-ol;2-[6-[2-[4-(4-methylpiperazin-1-yl)anilino]-6-propan-2-ylpyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]propan-2-ol;2-[6-[2-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-6-propan-2-ylpyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]propan-2-ol
SMILESCC(C)c1cc2cnc(Nc3ccc(N4CCC(N5CCN(C)CC5)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1.CC(C)c1cc2cnc(Nc3ccc(N4CCC5(CCN(C)CC5)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1.CC(C)c1cc2cnc(Nc3ccc(N4CCC5(CCN(C)CC5)CC4)cc3)nc2n1-c1cccc(N=S(C)(C)=O)n1.CC(C)c1cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1.CC(C)c1cc2cnc(Nc3ccc(N4CCN(CCN(C)C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1.CC(C)c1cc2cnc(Nc3ccc(N4CCN(CCN(C)C)CC4)cc3)nc2n1-c1cccc(N=S(C)(C)=O)n1
InChIInChI=1S/C33H44N8O.C33H43N7O.C32H42N8OS.C31H42N8O.C30H41N9OS.C28H35N7O/c1-23(2)28-21-24-22-34-32(37-31(24)41(28)30-8-6-7-29(36-30)33(3,4)42)35-25-9-11-26(12-10-25)39-15-13-27(14-16-39)40-19-17-38(5)18-20-40;1-23(2)27-21-24-22-34-31(37-30(24)40(27)29-8-6-7-28(36-29)32(3,4)41)35-25-9-11-26(12-10-25)39-19-15-33(16-20-39)13-17-38(5)18-14-33;1-23(2)27-21-24-22-33-31(36-30(24)40(27)29-8-6-7-28(35-29)37-42(4,5)41)34-25-9-11-26(12-10-25)39-19-15-32(16-20-39)13-17-38(3)18-14-32;1-22(2)26-20-23-21-32-30(35-29(23)39(26)28-9-7-8-27(34-28)31(3,4)40)33-24-10-12-25(13-11-24)38-18-16-37(17-19-38)15-14-36(5)6;1-22(2)26-20-23-21-31-30(34-29(23)39(26)28-9-7-8-27(33-28)35-41(5,6)40)32-24-10-12-25(13-11-24)38-18-16-37(17-19-38)15-14-36(3)4;1-19(2)23-17-20-18-29-27(30-21-9-11-22(12-10-21)34-15-13-33(5)14-16-34)32-26(20)35(23)25-8-6-7-24(31-25)28(3,4)36/h6-12,21-23,27,42H,13-20H2,1-5H3,(H,34,35,37);6-12,21-23,41H,13-20H2,1-5H3,(H,34,35,37);6-12,21-23H,13-20H2,1-5H3,(H,33,34,36);7-13,20-22,40H,14-19H2,1-6H3,(H,32,33,35);7-13,20-22H,14-19H2,1-6H3,(H,31,32,34);6-12,17-19,36H,13-16H2,1-5H3,(H,29,30,32)
InChIKeyDFRSQIADXAOJJE-UHFFFAOYSA-N
MW3313.49 g/mol
LogP31.68
Rot. Bonds43

About 2-[6-[2-[4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]anilino]-6-propan-2-ylpyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]propan-2-ol;N-[4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]phenyl]-7-[6-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-2-pyridinyl]-6-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-[6-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-2-pyridinyl]-N-[4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)phenyl]-6-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;2-[6-[2-[4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)anilino]-6-propan-2-ylpyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]propan-2-ol;2-[6-[2-[4-(4-methylpiperazin-1-yl)anilino]-6-propan-2-ylpyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]propan-2-ol;2-[6-[2-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-6-propan-2-ylpyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]propan-2-ol

2-[6-[2-[4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]anilino]-6-propan-2-ylpyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]propan-2-ol;N-[4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]phenyl]-7-[6-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-2-pyridinyl]-6-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-[6-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-2-pyridinyl]-N-[4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)phenyl]-6-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;2-[6-[2-[4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)anilino]-6-propan-2-ylpyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]propan-2-ol;2-[6-[2-[4-(4-methylpiperazin-1-yl)anilino]-6-propan-2-ylpyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]propan-2-ol;2-[6-[2-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-6-propan-2-ylpyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]propan-2-ol (PubChem CID 164971856) has the molecular formula C187H247N47O6S2 and a molecular weight of 3313.49 g/mol. Its IUPAC name is 2-[6-[2-[4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]anilino]-6-propan-2-ylpyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]propan-2-ol;N-[4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]phenyl]-7-[6-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-2-pyridinyl]-6-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-[6-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-2-pyridinyl]-N-[4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)phenyl]-6-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;2-[6-[2-[4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)anilino]-6-propan-2-ylpyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]propan-2-ol;2-[6-[2-[4-(4-methylpiperazin-1-yl)anilino]-6-propan-2-ylpyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]propan-2-ol;2-[6-[2-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-6-propan-2-ylpyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[6-[2-[4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]anilino]-6-propan-2-ylpyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]propan-2-ol;N-[4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]phenyl]-7-[6-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-2-pyridinyl]-6-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-[6-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-2-pyridinyl]-N-[4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)phenyl]-6-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;2-[6-[2-[4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)anilino]-6-propan-2-ylpyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]propan-2-ol;2-[6-[2-[4-(4-methylpiperazin-1-yl)anilino]-6-propan-2-ylpyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]propan-2-ol;2-[6-[2-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-6-propan-2-ylpyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]propan-2-ol
PubChem CID164971856
Molecular FormulaC187H247N47O6S2
Molecular Weight3313.49 g/mol
Exact Mass3310.99
IUPAC Name2-[6-[2-[4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]anilino]-6-propan-2-ylpyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]propan-2-ol;N-[4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]phenyl]-7-[6-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-2-pyridinyl]-6-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-[6-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-2-pyridinyl]-N-[4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)phenyl]-6-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;2-[6-[2-[4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)anilino]-6-propan-2-ylpyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]propan-2-ol;2-[6-[2-[4-(4-methylpiperazin-1-yl)anilino]-6-propan-2-ylpyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]propan-2-ol;2-[6-[2-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-6-propan-2-ylpyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]propan-2-ol
SMILESCC(C)c1cc2cnc(Nc3ccc(N4CCC(N5CCN(C)CC5)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1.CC(C)c1cc2cnc(Nc3ccc(N4CCC5(CCN(C)CC5)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1.CC(C)c1cc2cnc(Nc3ccc(N4CCC5(CCN(C)CC5)CC4)cc3)nc2n1-c1cccc(N=S(C)(C)=O)n1.CC(C)c1cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1.CC(C)c1cc2cnc(Nc3ccc(N4CCN(CCN(C)C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1.CC(C)c1cc2cnc(Nc3ccc(N4CCN(CCN(C)C)CC4)cc3)nc2n1-c1cccc(N=S(C)(C)=O)n1
InChIInChI=1S/C33H44N8O.C33H43N7O.C32H42N8OS.C31H42N8O.C30H41N9OS.C28H35N7O/c1-23(2)28-21-24-22-34-32(37-31(24)41(28)30-8-6-7-29(36-30)33(3,4)42)35-25-9-11-26(12-10-25)39-15-13-27(14-16-39)40-19-17-38(5)18-20-40;1-23(2)27-21-24-22-34-31(37-30(24)40(27)29-8-6-7-28(36-29)32(3,4)41)35-25-9-11-26(12-10-25)39-19-15-33(16-20-39)13-17-38(5)18-14-33;1-23(2)27-21-24-22-33-31(36-30(24)40(27)29-8-6-7-28(35-29)37-42(4,5)41)34-25-9-11-26(12-10-25)39-19-15-32(16-20-39)13-17-38(3)18-14-32;1-22(2)26-20-23-21-32-30(35-29(23)39(26)28-9-7-8-27(34-28)31(3,4)40)33-24-10-12-25(13-11-24)38-18-16-37(17-19-38)15-14-36(5)6;1-22(2)26-20-23-21-31-30(34-29(23)39(26)28-9-7-8-27(33-28)35-41(5,6)40)32-24-10-12-25(13-11-24)38-18-16-37(17-19-38)15-14-36(3)4;1-19(2)23-17-20-18-29-27(30-21-9-11-22(12-10-21)34-15-13-33(5)14-16-34)32-26(20)35(23)25-8-6-7-24(31-25)28(3,4)36/h6-12,21-23,27,42H,13-20H2,1-5H3,(H,34,35,37);6-12,21-23,41H,13-20H2,1-5H3,(H,34,35,37);6-12,21-23H,13-20H2,1-5H3,(H,33,34,36);7-13,20-22,40H,14-19H2,1-6H3,(H,32,33,35);7-13,20-22H,14-19H2,1-6H3,(H,31,32,34);6-12,17-19,36H,13-16H2,1-5H3,(H,29,30,32)
InChIKeyDFRSQIADXAOJJE-UHFFFAOYSA-N
XLogP31.68
TPSA522.16 Ų
H-Bond Donors10
H-Bond Acceptors53
Rotatable Bonds43
Heavy Atoms242
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003313.49
LogP ≤ 531.68
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1053

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 2-[6-[2-[4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]anilino]-6-propan-2-ylpyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]propan-2-ol;N-[4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]phenyl]-7-[6-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-2-pyridinyl]-6-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-[6-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-2-pyridinyl]-N-[4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)phenyl]-6-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;2-[6-[2-[4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)anilino]-6-propan-2-ylpyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]propan-2-ol;2-[6-[2-[4-(4-methylpiperazin-1-yl)anilino]-6-propan-2-ylpyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]propan-2-ol;2-[6-[2-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-6-propan-2-ylpyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]phenyl]-7-[6-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-2-pyridinyl]-6-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine
CID 155161223
2-[6-[6-tert-butyl-2-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]pyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]propan-2-ol
CID 155147113
6-cyclopropyl-7-[6-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-2-pyridinyl]-5-fluoro-N-[4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]phenyl]pyrrolo[2,3-d]pyrimidin-2-amine;2-[4-[4-[[6-cyclopropyl-7-[6-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-2-pyridinyl]-5-fluoropyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]ethanol;6-cyclopropyl-7-[6-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-2-pyridinyl]-N-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrrolo[2,3-d]pyrimidin-2-amine;2-[4-[4-[[6-cyclopropyl-7-[6-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-2-pyridinyl]pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]ethanol;6-cyclopropyl-5-fluoro-N-[4-(4-methylpiperazin-1-yl)phenyl]-7-[6-(2-methylpropyl)-2-pyridinyl]pyrrolo[2,3-d]pyrimidin-2-amine;6-cyclopropyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-7-[6-(2-methylpropyl)-2-pyridinyl]pyrrolo[2,3-d]pyrimidin-2-amine
CID 165009949
2-[6-[6-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]propan-2-ol
CID 155147142
7-[6-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-2-pyridinyl]-5-fluoro-N-[4-(4-methylpiperazin-1-yl)phenyl]-6-propylpyrrolo[2,3-d]pyrimidin-2-amine
CID 155161151
1-[6-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-2-pyridinyl]-3-fluoro-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[3,4-d]pyrimidin-6-amine
CID 171729646
1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-[4-(4-methylpiperazin-1-yl)anilino]-2-phenylpyrazolo[3,4-d]pyrimidin-3-one
CID 171351565
1-[6-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-2-pyridinyl]-2-propan-2-yl-6-[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]anilino]pyrazolo[3,4-d]pyrimidin-3-one
CID 134184606
1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-[4-(4-methylpiperazin-1-yl)anilino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;sulfuric acid
CID 25064695
2-(3-chlorophenyl)-1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-[4-(4-methylpiperazin-1-yl)anilino]pyrazolo[3,4-d]pyrimidin-3-one
CID 171342701
4-[[6-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-2-pyridinyl]amino]-2-[4-(4-methylpiperazin-1-yl)anilino]-N-propan-2-ylpyrimidine-5-carboxamide;molecular hydrogen
CID 145440777
1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-methyl-6-[4-(4-methylpiperazin-1-yl)anilino]-3H-pyrazolo[3,4-d]pyrimidine-3-carbaldehyde
CID 175149883

Frequently Asked Questions

What is the IUPAC name of 2-[6-[2-[4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]anilino]-6-propan-2-ylpyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]propan-2-ol;N-[4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]phenyl]-7-[6-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-2-pyridinyl]-6-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-[6-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-2-pyridinyl]-N-[4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)phenyl]-6-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;2-[6-[2-[4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)anilino]-6-propan-2-ylpyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]propan-2-ol;2-[6-[2-[4-(4-methylpiperazin-1-yl)anilino]-6-propan-2-ylpyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]propan-2-ol;2-[6-[2-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-6-propan-2-ylpyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]propan-2-ol?
The IUPAC name of 2-[6-[2-[4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]anilino]-6-propan-2-ylpyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]propan-2-ol;N-[4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]phenyl]-7-[6-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-2-pyridinyl]-6-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-[6-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-2-pyridinyl]-N-[4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)phenyl]-6-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;2-[6-[2-[4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)anilino]-6-propan-2-ylpyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]propan-2-ol;2-[6-[2-[4-(4-methylpiperazin-1-yl)anilino]-6-propan-2-ylpyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]propan-2-ol;2-[6-[2-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-6-propan-2-ylpyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]propan-2-ol (CID 164971856) is 2-[6-[2-[4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]anilino]-6-propan-2-ylpyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]propan-2-ol;N-[4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]phenyl]-7-[6-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-2-pyridinyl]-6-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-[6-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-2-pyridinyl]-N-[4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)phenyl]-6-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;2-[6-[2-[4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)anilino]-6-propan-2-ylpyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]propan-2-ol;2-[6-[2-[4-(4-methylpiperazin-1-yl)anilino]-6-propan-2-ylpyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]propan-2-ol;2-[6-[2-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-6-propan-2-ylpyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[6-[2-[4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]anilino]-6-propan-2-ylpyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]propan-2-ol;N-[4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]phenyl]-7-[6-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-2-pyridinyl]-6-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-[6-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-2-pyridinyl]-N-[4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)phenyl]-6-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;2-[6-[2-[4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)anilino]-6-propan-2-ylpyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]propan-2-ol;2-[6-[2-[4-(4-methylpiperazin-1-yl)anilino]-6-propan-2-ylpyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]propan-2-ol;2-[6-[2-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-6-propan-2-ylpyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[6-[2-[4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]anilino]-6-propan-2-ylpyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]propan-2-ol;N-[4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]phenyl]-7-[6-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-2-pyridinyl]-6-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-[6-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-2-pyridinyl]-N-[4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)phenyl]-6-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;2-[6-[2-[4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)anilino]-6-propan-2-ylpyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]propan-2-ol;2-[6-[2-[4-(4-methylpiperazin-1-yl)anilino]-6-propan-2-ylpyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]propan-2-ol;2-[6-[2-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-6-propan-2-ylpyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]propan-2-ol is CC(C)c1cc2cnc(Nc3ccc(N4CCC(N5CCN(C)CC5)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1.CC(C)c1cc2cnc(Nc3ccc(N4CCC5(CCN(C)CC5)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1.CC(C)c1cc2cnc(Nc3ccc(N4CCC5(CCN(C)CC5)CC4)cc3)nc2n1-c1cccc(N=S(C)(C)=O)n1.CC(C)c1cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1.CC(C)c1cc2cnc(Nc3ccc(N4CCN(CCN(C)C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1.CC(C)c1cc2cnc(Nc3ccc(N4CCN(CCN(C)C)CC4)cc3)nc2n1-c1cccc(N=S(C)(C)=O)n1.
What is the InChIKey of 2-[6-[2-[4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]anilino]-6-propan-2-ylpyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]propan-2-ol;N-[4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]phenyl]-7-[6-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-2-pyridinyl]-6-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-[6-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-2-pyridinyl]-N-[4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)phenyl]-6-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;2-[6-[2-[4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)anilino]-6-propan-2-ylpyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]propan-2-ol;2-[6-[2-[4-(4-methylpiperazin-1-yl)anilino]-6-propan-2-ylpyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]propan-2-ol;2-[6-[2-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-6-propan-2-ylpyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]propan-2-ol?
The InChIKey is DFRSQIADXAOJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H44N8O.C33H43N7O.C32H42N8OS.C31H42N8O.C30H41N9OS.C28H35N7O/c1-23(2)28-21-24-22-34-32(37-31(24)41(28)30-8-6-7-29(36-30)33(3,4)42)35-25-9-11-26(12-10-25)39-15-13-27(14-16-39)40-19-17-38(5)18-20-40;1-23(2)27-21-24-22-34-31(37-30(24)40(27)29-8-6-7-28(36-29)32(3,4)41)35-25-9-11-26(12-10-25)39-19-15-33(16-20-39)13-17-38(5)18-14-33;1-23(2)27-21-24-22-33-31(36-30(24)40(27)29-8-6-7-28(35-29)37-42(4,5)41)34-25-9-11-26(12-10-25)39-19-15-32(16-20-39)13-17-38(3)18-14-32;1-22(2)26-20-23-21-32-30(35-29(23)39(26)28-9-7-8-27(34-28)31(3,4)40)33-24-10-12-25(13-11-24)38-18-16-37(17-19-38)15-14-36(5)6;1-22(2)26-20-23-21-31-30(34-29(23)39(26)28-9-7-8-27(33-28)35-41(5,6)40)32-24-10-12-25(13-11-24)38-18-16-37(17-19-38)15-14-36(3)4;1-19(2)23-17-20-18-29-27(30-21-9-11-22(12-10-21)34-15-13-33(5)14-16-34)32-26(20)35(23)25-8-6-7-24(31-25)28(3,4)36/h6-12,21-23,27,42H,13-20H2,1-5H3,(H,34,35,37);6-12,21-23,41H,13-20H2,1-5H3,(H,34,35,37);6-12,21-23H,13-20H2,1-5H3,(H,33,34,36);7-13,20-22,40H,14-19H2,1-6H3,(H,32,33,35);7-13,20-22H,14-19H2,1-6H3,(H,31,32,34);6-12,17-19,36H,13-16H2,1-5H3,(H,29,30,32).
What are the key properties of 2-[6-[2-[4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]anilino]-6-propan-2-ylpyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]propan-2-ol;N-[4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]phenyl]-7-[6-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-2-pyridinyl]-6-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-[6-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-2-pyridinyl]-N-[4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)phenyl]-6-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;2-[6-[2-[4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)anilino]-6-propan-2-ylpyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]propan-2-ol;2-[6-[2-[4-(4-methylpiperazin-1-yl)anilino]-6-propan-2-ylpyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]propan-2-ol;2-[6-[2-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-6-propan-2-ylpyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]propan-2-ol?
2-[6-[2-[4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]anilino]-6-propan-2-ylpyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]propan-2-ol;N-[4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]phenyl]-7-[6-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-2-pyridinyl]-6-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-[6-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-2-pyridinyl]-N-[4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)phenyl]-6-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;2-[6-[2-[4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)anilino]-6-propan-2-ylpyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]propan-2-ol;2-[6-[2-[4-(4-methylpiperazin-1-yl)anilino]-6-propan-2-ylpyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]propan-2-ol;2-[6-[2-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-6-propan-2-ylpyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]propan-2-ol has a molecular weight of 3313.49 g/mol, XLogP of 31.68, 43 rotatable bonds, 10 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[2-[4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]anilino]-6-propan-2-ylpyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]propan-2-ol;N-[4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]phenyl]-7-[6-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-2-pyridinyl]-6-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-[6-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-2-pyridinyl]-N-[4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)phenyl]-6-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;2-[6-[2-[4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)anilino]-6-propan-2-ylpyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]propan-2-ol;2-[6-[2-[4-(4-methylpiperazin-1-yl)anilino]-6-propan-2-ylpyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]propan-2-ol;2-[6-[2-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-6-propan-2-ylpyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 164971856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).