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

C129H142Cl2FN41O14 — CID 159721239

IUPAC5-[(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)-5-[(5-methyl-1H-imidazol-4-yl)methylidene]-4-(4-methylpiperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-5-[(5-methyl-1H-imidazol-4-yl)methylidene]-4-morpholin-4-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;N-(2-morpholin-4-ylethyl)-5-[(Z)-(4-morpholin-4-yl-6-oxo-7H-pyrrolo[2,3-d]pyrimidin-5-ylidene)methyl]-1H-pyrrole-2-carboxamide;hydrochloride
SMILESCc1[nH]cnc1/C=C1\C(=O)Nc2ncnc(N3CCN(C)CC3)c21.Cc1[nH]cnc1/C=C1\C(=O)Nc2ncnc(N3CCOCC3)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(N3CCOCC3)c2/C1=C/c1ccc(C(=O)NCCN2CCOCC2)[nH]1.O=C1Nc2ncnc(Nc3ccc4c(ccn4Cc4ccccc4)c3)c2/C1=C/c1ccc(C(=O)NCCN2CCOCC2)[nH]1
InChIInChI=1S/C33H32N8O3.C24H32N8O3.C22H27N7O4.C19H15ClFN5O.C16H19N7O.C15H16N6O2.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;30-21-16(18-19(27-21)24-14-25-20(18)29-7-11-33-12-8-29)13-15-1-2-17(26-15)22(31)23-3-4-28-5-9-32-10-6-28;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;1-10-12(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;1-9-11(17-7-16-9)6-10-12-13(20-15(10)22)18-8-19-14(12)21-2-4-23-5-3-21;/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);1-2,13-14,26H,3-12H2,(H,23,31)(H,24,25,27,30);3-8,24H,1-2H3,(H2,22,23,25,26,27);7-9H,3-6H2,1-2H3,(H,17,18)(H,19,20,21,24);6-8H,2-5H2,1H3,(H,16,17)(H,18,19,20,22);1H/b26-19-;17-14-;16-13-;12-7-;11-7-;10-6-;
InChIKeyDWFDJYGDHJCRDJ-RICUKECUSA-N
MW2580.73 g/mol
LogP11.18
Rot. Bonds28

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)-5-[(5-methyl-1H-imidazol-4-yl)methylidene]-4-(4-methylpiperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-5-[(5-methyl-1H-imidazol-4-yl)methylidene]-4-morpholin-4-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;N-(2-morpholin-4-ylethyl)-5-[(Z)-(4-morpholin-4-yl-6-oxo-7H-pyrrolo[2,3-d]pyrimidin-5-ylidene)methyl]-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)-5-[(5-methyl-1H-imidazol-4-yl)methylidene]-4-(4-methylpiperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-5-[(5-methyl-1H-imidazol-4-yl)methylidene]-4-morpholin-4-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;N-(2-morpholin-4-ylethyl)-5-[(Z)-(4-morpholin-4-yl-6-oxo-7H-pyrrolo[2,3-d]pyrimidin-5-ylidene)methyl]-1H-pyrrole-2-carboxamide;hydrochloride (PubChem CID 159721239) has the molecular formula C129H142Cl2FN41O14 and a molecular weight of 2580.73 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)-5-[(5-methyl-1H-imidazol-4-yl)methylidene]-4-(4-methylpiperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-5-[(5-methyl-1H-imidazol-4-yl)methylidene]-4-morpholin-4-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;N-(2-morpholin-4-ylethyl)-5-[(Z)-(4-morpholin-4-yl-6-oxo-7H-pyrrolo[2,3-d]pyrimidin-5-ylidene)methyl]-1H-pyrrole-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-[(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)-5-[(5-methyl-1H-imidazol-4-yl)methylidene]-4-(4-methylpiperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-5-[(5-methyl-1H-imidazol-4-yl)methylidene]-4-morpholin-4-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;N-(2-morpholin-4-ylethyl)-5-[(Z)-(4-morpholin-4-yl-6-oxo-7H-pyrrolo[2,3-d]pyrimidin-5-ylidene)methyl]-1H-pyrrole-2-carboxamide;hydrochloride
PubChem CID159721239
Molecular FormulaC129H142Cl2FN41O14
Molecular Weight2580.73 g/mol
Exact Mass2578.10
IUPAC Name5-[(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)-5-[(5-methyl-1H-imidazol-4-yl)methylidene]-4-(4-methylpiperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-5-[(5-methyl-1H-imidazol-4-yl)methylidene]-4-morpholin-4-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;N-(2-morpholin-4-ylethyl)-5-[(Z)-(4-morpholin-4-yl-6-oxo-7H-pyrrolo[2,3-d]pyrimidin-5-ylidene)methyl]-1H-pyrrole-2-carboxamide;hydrochloride
SMILESCc1[nH]cnc1/C=C1\C(=O)Nc2ncnc(N3CCN(C)CC3)c21.Cc1[nH]cnc1/C=C1\C(=O)Nc2ncnc(N3CCOCC3)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(N3CCOCC3)c2/C1=C/c1ccc(C(=O)NCCN2CCOCC2)[nH]1.O=C1Nc2ncnc(Nc3ccc4c(ccn4Cc4ccccc4)c3)c2/C1=C/c1ccc(C(=O)NCCN2CCOCC2)[nH]1
InChIInChI=1S/C33H32N8O3.C24H32N8O3.C22H27N7O4.C19H15ClFN5O.C16H19N7O.C15H16N6O2.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;30-21-16(18-19(27-21)24-14-25-20(18)29-7-11-33-12-8-29)13-15-1-2-17(26-15)22(31)23-3-4-28-5-9-32-10-6-28;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;1-10-12(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;1-9-11(17-7-16-9)6-10-12-13(20-15(10)22)18-8-19-14(12)21-2-4-23-5-3-21;/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);1-2,13-14,26H,3-12H2,(H,23,31)(H,24,25,27,30);3-8,24H,1-2H3,(H2,22,23,25,26,27);7-9H,3-6H2,1-2H3,(H,17,18)(H,19,20,21,24);6-8H,2-5H2,1H3,(H,16,17)(H,18,19,20,22);1H/b26-19-;17-14-;16-13-;12-7-;11-7-;10-6-;
InChIKeyDWFDJYGDHJCRDJ-RICUKECUSA-N
XLogP11.18
TPSA641.40 Ų
H-Bond Donors17
H-Bond Acceptors40
Rotatable Bonds28
Heavy Atoms187
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002580.73
LogP ≤ 511.18
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

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

Analyze 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)-5-[(5-methyl-1H-imidazol-4-yl)methylidene]-4-(4-methylpiperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-5-[(5-methyl-1H-imidazol-4-yl)methylidene]-4-morpholin-4-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;N-(2-morpholin-4-ylethyl)-5-[(Z)-(4-morpholin-4-yl-6-oxo-7H-pyrrolo[2,3-d]pyrimidin-5-ylidene)methyl]-1H-pyrrole-2-carboxamide;hydrochloride with MolForge

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Launch Full Analysis

Related Compounds

Pyrrolo[2,3-d]pyrimidin-6-one deriv. 28d
CID 5329252
7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-(3-morpholin-4-ylpropyl)-1H-indole-2-carboxamide
CID 72188234
7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-(5-morpholin-4-ylpentyl)-1H-indole-2-carboxamide
CID 89866698
7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-(4-morpholin-4-ylcyclohexyl)-1H-indole-2-carboxamide
CID 89866700
7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-(2-morpholin-4-ylethyl)-1H-indole-2-carboxamide
CID 89866701
[7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
CID 89866702
[7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone
CID 89866707
2-[4-[[4-[(4-chloro-2-fluorobenzoyl)amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrol-2-yl]-N-(2-morpholin-4-ylethyl)-3H-benzimidazole-5-carboxamide
CID 44458059
6-chloro-3-[3-[(4-chloro-2,6-difluorophenyl)methyl]-5-phenylimidazol-4-yl]-N-[2-[4-(3-oxomorpholin-4-yl)piperidin-1-yl]-3-pyridinyl]-1H-indole-2-carboxamide
CID 71155750
6-chloro-3-[3-[(4-chloro-2-fluorophenyl)methyl]-5-phenylimidazol-4-yl]-N-[2-[4-(3-oxomorpholin-4-yl)piperidin-1-yl]-3-pyridinyl]-1H-indole-2-carboxamide
CID 71155777
6-chloro-N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(cyclopropylmethyl)-3,4-difluorobenzamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(cyclopropylmethyl)-4-fluorobenzamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-2,2-dimethyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(3-morpholin-4-ylpropyl)benzamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(3-morpholin-4-ylpropyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 157534381
4-[4-(benzimidazol-1-yl)piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-(4-tert-butylpiperidine-1-carbonyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-[4-(4-chlorophenyl)piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-[4-(3-fluorophenyl)piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;N-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-2-methyl-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide;2-methyl-1-oxo-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-7H-cyclopenta[c]pyridine-4-carboxamide;6-methyl-4-[4-(pyridin-3-ylmethyl)piperidine-1-carbonyl]-1H-pyrrolo[2,3-c]pyridin-7-one
CID 158539402

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)-5-[(5-methyl-1H-imidazol-4-yl)methylidene]-4-(4-methylpiperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-5-[(5-methyl-1H-imidazol-4-yl)methylidene]-4-morpholin-4-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;N-(2-morpholin-4-ylethyl)-5-[(Z)-(4-morpholin-4-yl-6-oxo-7H-pyrrolo[2,3-d]pyrimidin-5-ylidene)methyl]-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)-5-[(5-methyl-1H-imidazol-4-yl)methylidene]-4-(4-methylpiperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-5-[(5-methyl-1H-imidazol-4-yl)methylidene]-4-morpholin-4-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;N-(2-morpholin-4-ylethyl)-5-[(Z)-(4-morpholin-4-yl-6-oxo-7H-pyrrolo[2,3-d]pyrimidin-5-ylidene)methyl]-1H-pyrrole-2-carboxamide;hydrochloride (CID 159721239) 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)-5-[(5-methyl-1H-imidazol-4-yl)methylidene]-4-(4-methylpiperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-5-[(5-methyl-1H-imidazol-4-yl)methylidene]-4-morpholin-4-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;N-(2-morpholin-4-ylethyl)-5-[(Z)-(4-morpholin-4-yl-6-oxo-7H-pyrrolo[2,3-d]pyrimidin-5-ylidene)methyl]-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)-5-[(5-methyl-1H-imidazol-4-yl)methylidene]-4-(4-methylpiperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-5-[(5-methyl-1H-imidazol-4-yl)methylidene]-4-morpholin-4-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;N-(2-morpholin-4-ylethyl)-5-[(Z)-(4-morpholin-4-yl-6-oxo-7H-pyrrolo[2,3-d]pyrimidin-5-ylidene)methyl]-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)-5-[(5-methyl-1H-imidazol-4-yl)methylidene]-4-(4-methylpiperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-5-[(5-methyl-1H-imidazol-4-yl)methylidene]-4-morpholin-4-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;N-(2-morpholin-4-ylethyl)-5-[(Z)-(4-morpholin-4-yl-6-oxo-7H-pyrrolo[2,3-d]pyrimidin-5-ylidene)methyl]-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(N3CCOCC3)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(N3CCOCC3)c2/C1=C/c1ccc(C(=O)NCCN2CCOCC2)[nH]1.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)-5-[(5-methyl-1H-imidazol-4-yl)methylidene]-4-(4-methylpiperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-5-[(5-methyl-1H-imidazol-4-yl)methylidene]-4-morpholin-4-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;N-(2-morpholin-4-ylethyl)-5-[(Z)-(4-morpholin-4-yl-6-oxo-7H-pyrrolo[2,3-d]pyrimidin-5-ylidene)methyl]-1H-pyrrole-2-carboxamide;hydrochloride?
The InChIKey is DWFDJYGDHJCRDJ-RICUKECUSA-N. The full InChI is InChI=1S/C33H32N8O3.C24H32N8O3.C22H27N7O4.C19H15ClFN5O.C16H19N7O.C15H16N6O2.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;30-21-16(18-19(27-21)24-14-25-20(18)29-7-11-33-12-8-29)13-15-1-2-17(26-15)22(31)23-3-4-28-5-9-32-10-6-28;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;1-10-12(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;1-9-11(17-7-16-9)6-10-12-13(20-15(10)22)18-8-19-14(12)21-2-4-23-5-3-21;/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);1-2,13-14,26H,3-12H2,(H,23,31)(H,24,25,27,30);3-8,24H,1-2H3,(H2,22,23,25,26,27);7-9H,3-6H2,1-2H3,(H,17,18)(H,19,20,21,24);6-8H,2-5H2,1H3,(H,16,17)(H,18,19,20,22);1H/b26-19-;17-14-;16-13-;12-7-;11-7-;10-6-;.
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)-5-[(5-methyl-1H-imidazol-4-yl)methylidene]-4-(4-methylpiperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-5-[(5-methyl-1H-imidazol-4-yl)methylidene]-4-morpholin-4-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;N-(2-morpholin-4-ylethyl)-5-[(Z)-(4-morpholin-4-yl-6-oxo-7H-pyrrolo[2,3-d]pyrimidin-5-ylidene)methyl]-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)-5-[(5-methyl-1H-imidazol-4-yl)methylidene]-4-(4-methylpiperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-5-[(5-methyl-1H-imidazol-4-yl)methylidene]-4-morpholin-4-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;N-(2-morpholin-4-ylethyl)-5-[(Z)-(4-morpholin-4-yl-6-oxo-7H-pyrrolo[2,3-d]pyrimidin-5-ylidene)methyl]-1H-pyrrole-2-carboxamide;hydrochloride has a molecular weight of 2580.73 g/mol, XLogP of 11.18, 28 rotatable bonds, 17 hydrogen bond donors, and 40 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)-5-[(5-methyl-1H-imidazol-4-yl)methylidene]-4-(4-methylpiperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-5-[(5-methyl-1H-imidazol-4-yl)methylidene]-4-morpholin-4-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;N-(2-morpholin-4-ylethyl)-5-[(Z)-(4-morpholin-4-yl-6-oxo-7H-pyrrolo[2,3-d]pyrimidin-5-ylidene)methyl]-1H-pyrrole-2-carboxamide;hydrochloride is sourced from PubChem (CID 159721239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).