5-[(Z)-[4-[(1-benzylindol-5-yl)amino]-6-oxo-7H-pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-(2-morpholin-4-ylethyl)-1H-pyrrole-2-carboxamide;(5Z)-4-(3-chloro-4-fluoroanilino)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-4-(3-chloro-4-fluoroanilino)-5-[(5-methyl-1H-imidazol-4-yl)methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-5-[(5-methyl-1H-imidazol-4-yl)methylidene]-4-(4-methylpiperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-one;4-methyl-5-[(Z)-[4-(4-methylpiperazin-1-yl)-6-oxo-7H-pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-(2-morpholin-4-ylethyl)-1H-pyrrole-2-carboxamide;hydrochloride

C109H111Cl3F2N34O9 — CID 162203770

About 5-[(Z)-[4-[(1-benzylindol-5-yl)amino]-6-oxo-7H-pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-(2-morpholin-4-ylethyl)-1H-pyrrole-2-carboxamide;(5Z)-4-(3-chloro-4-fluoroanilino)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-4-(3-chloro-4-fluoroanilino)-5-[(5-methyl-1H-imidazol-4-yl)methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-5-[(5-methyl-1H-imidazol-4-yl)methylidene]-4-(4-methylpiperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-one;4-methyl-5-[(Z)-[4-(4-methylpiperazin-1-yl)-6-oxo-7H-pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-(2-morpholin-4-ylethyl)-1H-pyrrole-2-carboxamide;hydrochloride

5-[(Z)-[4-[(1-benzylindol-5-yl)amino]-6-oxo-7H-pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-(2-morpholin-4-ylethyl)-1H-pyrrole-2-carboxamide;(5Z)-4-(3-chloro-4-fluoroanilino)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-4-(3-chloro-4-fluoroanilino)-5-[(5-methyl-1H-imidazol-4-yl)methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-5-[(5-methyl-1H-imidazol-4-yl)methylidene]-4-(4-methylpiperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-one;4-methyl-5-[(Z)-[4-(4-methylpiperazin-1-yl)-6-oxo-7H-pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-(2-morpholin-4-ylethyl)-1H-pyrrole-2-carboxamide;hydrochloride (PubChem CID 162203770) has the molecular formula C109H111Cl3F2N34O9 and a molecular weight of 2185.67 g/mol. Its IUPAC name is 5-[(Z)-[4-[(1-benzylindol-5-yl)amino]-6-oxo-7H-pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-(2-morpholin-4-ylethyl)-1H-pyrrole-2-carboxamide;(5Z)-4-(3-chloro-4-fluoroanilino)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-4-(3-chloro-4-fluoroanilino)-5-[(5-methyl-1H-imidazol-4-yl)methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-5-[(5-methyl-1H-imidazol-4-yl)methylidene]-4-(4-methylpiperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-one;4-methyl-5-[(Z)-[4-(4-methylpiperazin-1-yl)-6-oxo-7H-pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-(2-morpholin-4-ylethyl)-1H-pyrrole-2-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: 5-[(Z)-[4-[(1-benzylindol-5-yl)amino]-6-oxo-7H-pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-(2-morpholin-4-ylethyl)-1H-pyrrole-2-carboxamide;(5Z)-4-(3-chloro-4-fluoroanilino)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-4-(3-chloro-4-fluoroanilino)-5-[(5-methyl-1H-imidazol-4-yl)methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-5-[(5-methyl-1H-imidazol-4-yl)methylidene]-4-(4-methylpiperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-one;4-methyl-5-[(Z)-[4-(4-methylpiperazin-1-yl)-6-oxo-7H-pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-(2-morpholin-4-ylethyl)-1H-pyrrole-2-carboxamide;hydrochloride
• PubChem CID: 162203770
• Molecular Formula: C109H111Cl3F2N34O9
• Molecular Weight: 2185.67 g/mol
• Exact Mass: 2182.83
• IUPAC Name: 5-[(Z)-[4-[(1-benzylindol-5-yl)amino]-6-oxo-7H-pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-(2-morpholin-4-ylethyl)-1H-pyrrole-2-carboxamide;(5Z)-4-(3-chloro-4-fluoroanilino)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-4-(3-chloro-4-fluoroanilino)-5-[(5-methyl-1H-imidazol-4-yl)methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-5-[(5-methyl-1H-imidazol-4-yl)methylidene]-4-(4-methylpiperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-one;4-methyl-5-[(Z)-[4-(4-methylpiperazin-1-yl)-6-oxo-7H-pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-(2-morpholin-4-ylethyl)-1H-pyrrole-2-carboxamide;hydrochloride
• SMILES: Cc1[nH]cnc1/C=C1\C(=O)Nc2ncnc(N3CCN(C)CC3)c21.Cc1[nH]cnc1/C=C1\C(=O)Nc2ncnc(Nc3ccc(F)c(Cl)c3)c21.Cc1cc(C(=O)NCCN2CCOCC2)[nH]c1/C=C1\C(=O)Nc2ncnc(N3CCN(C)CC3)c21.Cc1cc(C)c(/C=C2\C(=O)Nc3ncnc(Nc4ccc(F)c(Cl)c4)c32)[nH]1.Cl.O=C1Nc2ncnc(Nc3ccc4c(ccn4Cc4ccccc4)c3)c2/C1=C/c1ccc(C(=O)NCCN2CCOCC2)[nH]1
• InChI: InChI=1S/C33H32N8O3.C24H32N8O3.C19H15ClFN5O.C17H12ClFN6O.C16H19N7O.ClH/c42-32-26(19-25-6-8-27(37-25)33(43)34-11-13-40-14-16-44-17-15-40)29-30(35-21-36-31(29)39-32)38-24-7-9-28-23(18-24)10-12-41(28)20-22-4-2-1-3-5-22;1-16-13-19(24(34)25-3-4-31-9-11-35-12-10-31)28-18(16)14-17-20-21(29-23(17)33)26-15-27-22(20)32-7-5-30(2)6-8-32;1-9-5-10(2)24-15(9)7-12-16-17(22-8-23-18(16)26-19(12)27)25-11-3-4-14(21)13(20)6-11;1-8-13(21-6-20-8)5-10-14-15(22-7-23-16(14)25-17(10)26)24-9-2-3-12(19)11(18)4-9;1-10-12(18-8-17-10)7-11-13-14(21-16(11)24)19-9-20-15(13)23-5-3-22(2)4-6-23;/h1-10,12,18-19,21,37H,11,13-17,20H2,(H,34,43)(H2,35,36,38,39,42);13-15,28H,3-12H2,1-2H3,(H,25,34)(H,26,27,29,33);3-8,24H,1-2H3,(H2,22,23,25,26,27);2-7H,1H3,(H,20,21)(H2,22,23,24,25,26);7-9H,3-6H2,1-2H3,(H,17,18)(H,19,20,21,24);1H/b26-19-;17-14-;12-7-;10-5-;11-7-
• InChIKey: ZPDQOKOUCKPYQR-CTOTUVANSA-N
• XLogP: 13.69
• TPSA: 516.25 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 31
• Rotatable Bonds: 23
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2185.67
LogP ≤ 5	13.69
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-[4-[(1-benzylindol-5-yl)amino]-6-oxo-7H-pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-(2-morpholin-4-ylethyl)-1H-pyrrole-2-carboxamide;(5Z)-4-(3-chloro-4-fluoroanilino)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-4-(3-chloro-4-fluoroanilino)-5-[(5-methyl-1H-imidazol-4-yl)methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-5-[(5-methyl-1H-imidazol-4-yl)methylidene]-4-(4-methylpiperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-one;4-methyl-5-[(Z)-[4-(4-methylpiperazin-1-yl)-6-oxo-7H-pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-(2-morpholin-4-ylethyl)-1H-pyrrole-2-carboxamide;hydrochloride?

The IUPAC name of 5-[(Z)-[4-[(1-benzylindol-5-yl)amino]-6-oxo-7H-pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-(2-morpholin-4-ylethyl)-1H-pyrrole-2-carboxamide;(5Z)-4-(3-chloro-4-fluoroanilino)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-4-(3-chloro-4-fluoroanilino)-5-[(5-methyl-1H-imidazol-4-yl)methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-5-[(5-methyl-1H-imidazol-4-yl)methylidene]-4-(4-methylpiperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-one;4-methyl-5-[(Z)-[4-(4-methylpiperazin-1-yl)-6-oxo-7H-pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-(2-morpholin-4-ylethyl)-1H-pyrrole-2-carboxamide;hydrochloride (CID 162203770) is 5-[(Z)-[4-[(1-benzylindol-5-yl)amino]-6-oxo-7H-pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-(2-morpholin-4-ylethyl)-1H-pyrrole-2-carboxamide;(5Z)-4-(3-chloro-4-fluoroanilino)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-4-(3-chloro-4-fluoroanilino)-5-[(5-methyl-1H-imidazol-4-yl)methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-5-[(5-methyl-1H-imidazol-4-yl)methylidene]-4-(4-methylpiperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-one;4-methyl-5-[(Z)-[4-(4-methylpiperazin-1-yl)-6-oxo-7H-pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-(2-morpholin-4-ylethyl)-1H-pyrrole-2-carboxamide;hydrochloride.

What is the SMILES notation for 5-[(Z)-[4-[(1-benzylindol-5-yl)amino]-6-oxo-7H-pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-(2-morpholin-4-ylethyl)-1H-pyrrole-2-carboxamide;(5Z)-4-(3-chloro-4-fluoroanilino)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-4-(3-chloro-4-fluoroanilino)-5-[(5-methyl-1H-imidazol-4-yl)methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-5-[(5-methyl-1H-imidazol-4-yl)methylidene]-4-(4-methylpiperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-one;4-methyl-5-[(Z)-[4-(4-methylpiperazin-1-yl)-6-oxo-7H-pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-(2-morpholin-4-ylethyl)-1H-pyrrole-2-carboxamide;hydrochloride?

The canonical SMILES for 5-[(Z)-[4-[(1-benzylindol-5-yl)amino]-6-oxo-7H-pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-(2-morpholin-4-ylethyl)-1H-pyrrole-2-carboxamide;(5Z)-4-(3-chloro-4-fluoroanilino)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-4-(3-chloro-4-fluoroanilino)-5-[(5-methyl-1H-imidazol-4-yl)methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-5-[(5-methyl-1H-imidazol-4-yl)methylidene]-4-(4-methylpiperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-one;4-methyl-5-[(Z)-[4-(4-methylpiperazin-1-yl)-6-oxo-7H-pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-(2-morpholin-4-ylethyl)-1H-pyrrole-2-carboxamide;hydrochloride is Cc1[nH]cnc1/C=C1\C(=O)Nc2ncnc(N3CCN(C)CC3)c21.Cc1[nH]cnc1/C=C1\C(=O)Nc2ncnc(Nc3ccc(F)c(Cl)c3)c21.Cc1cc(C(=O)NCCN2CCOCC2)[nH]c1/C=C1\C(=O)Nc2ncnc(N3CCN(C)CC3)c21.Cc1cc(C)c(/C=C2\C(=O)Nc3ncnc(Nc4ccc(F)c(Cl)c4)c32)[nH]1.Cl.O=C1Nc2ncnc(Nc3ccc4c(ccn4Cc4ccccc4)c3)c2/C1=C/c1ccc(C(=O)NCCN2CCOCC2)[nH]1.

What is the InChIKey of 5-[(Z)-[4-[(1-benzylindol-5-yl)amino]-6-oxo-7H-pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-(2-morpholin-4-ylethyl)-1H-pyrrole-2-carboxamide;(5Z)-4-(3-chloro-4-fluoroanilino)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-4-(3-chloro-4-fluoroanilino)-5-[(5-methyl-1H-imidazol-4-yl)methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-5-[(5-methyl-1H-imidazol-4-yl)methylidene]-4-(4-methylpiperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-one;4-methyl-5-[(Z)-[4-(4-methylpiperazin-1-yl)-6-oxo-7H-pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-(2-morpholin-4-ylethyl)-1H-pyrrole-2-carboxamide;hydrochloride?

The InChIKey is ZPDQOKOUCKPYQR-CTOTUVANSA-N. The full InChI is InChI=1S/C33H32N8O3.C24H32N8O3.C19H15ClFN5O.C17H12ClFN6O.C16H19N7O.ClH/c42-32-26(19-25-6-8-27(37-25)33(43)34-11-13-40-14-16-44-17-15-40)29-30(35-21-36-31(29)39-32)38-24-7-9-28-23(18-24)10-12-41(28)20-22-4-2-1-3-5-22;1-16-13-19(24(34)25-3-4-31-9-11-35-12-10-31)28-18(16)14-17-20-21(29-23(17)33)26-15-27-22(20)32-7-5-30(2)6-8-32;1-9-5-10(2)24-15(9)7-12-16-17(22-8-23-18(16)26-19(12)27)25-11-3-4-14(21)13(20)6-11;1-8-13(21-6-20-8)5-10-14-15(22-7-23-16(14)25-17(10)26)24-9-2-3-12(19)11(18)4-9;1-10-12(18-8-17-10)7-11-13-14(21-16(11)24)19-9-20-15(13)23-5-3-22(2)4-6-23;/h1-10,12,18-19,21,37H,11,13-17,20H2,(H,34,43)(H2,35,36,38,39,42);13-15,28H,3-12H2,1-2H3,(H,25,34)(H,26,27,29,33);3-8,24H,1-2H3,(H2,22,23,25,26,27);2-7H,1H3,(H,20,21)(H2,22,23,24,25,26);7-9H,3-6H2,1-2H3,(H,17,18)(H,19,20,21,24);1H/b26-19-;17-14-;12-7-;10-5-;11-7-;.

What are the key properties of 5-[(Z)-[4-[(1-benzylindol-5-yl)amino]-6-oxo-7H-pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-(2-morpholin-4-ylethyl)-1H-pyrrole-2-carboxamide;(5Z)-4-(3-chloro-4-fluoroanilino)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-4-(3-chloro-4-fluoroanilino)-5-[(5-methyl-1H-imidazol-4-yl)methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-5-[(5-methyl-1H-imidazol-4-yl)methylidene]-4-(4-methylpiperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-one;4-methyl-5-[(Z)-[4-(4-methylpiperazin-1-yl)-6-oxo-7H-pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-(2-morpholin-4-ylethyl)-1H-pyrrole-2-carboxamide;hydrochloride?

5-[(Z)-[4-[(1-benzylindol-5-yl)amino]-6-oxo-7H-pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-(2-morpholin-4-ylethyl)-1H-pyrrole-2-carboxamide;(5Z)-4-(3-chloro-4-fluoroanilino)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-4-(3-chloro-4-fluoroanilino)-5-[(5-methyl-1H-imidazol-4-yl)methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-5-[(5-methyl-1H-imidazol-4-yl)methylidene]-4-(4-methylpiperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-one;4-methyl-5-[(Z)-[4-(4-methylpiperazin-1-yl)-6-oxo-7H-pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-(2-morpholin-4-ylethyl)-1H-pyrrole-2-carboxamide;hydrochloride has a molecular weight of 2185.67 g/mol, XLogP of 13.69, 23 rotatable bonds, 15 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(Z)-[4-[(1-benzylindol-5-yl)amino]-6-oxo-7H-pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-(2-morpholin-4-ylethyl)-1H-pyrrole-2-carboxamide;(5Z)-4-(3-chloro-4-fluoroanilino)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-4-(3-chloro-4-fluoroanilino)-5-[(5-methyl-1H-imidazol-4-yl)methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-5-[(5-methyl-1H-imidazol-4-yl)methylidene]-4-(4-methylpiperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-one;4-methyl-5-[(Z)-[4-(4-methylpiperazin-1-yl)-6-oxo-7H-pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-(2-morpholin-4-ylethyl)-1H-pyrrole-2-carboxamide;hydrochloride is sourced from PubChem (CID 162203770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).