5-[(Z)-[2-amino-4-chloro-7-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-[2-(diethylamino)ethyl]-4-methyl-1H-pyrrole-3-carboxamide;5-[(Z)-[2-amino-4-chloro-7-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-4-methyl-1H-pyrrole-3-carboxylic acid;2-amino-4-chloro-7-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;N',N'-diethylethane-1,2-diamine;(4,5-dimethyl-1,3-thiazol-2-yl)methanamine;ethyl 2-(2-amino-4,6-dichloropyrimidin-5-yl)acetate;5-formyl-1H-pyrrole-3-carboxylic acid

C₈₂H₁₀₀Cl₅N₂₇O₁₁S₄ — CID 158819295

About 5-[(Z)-[2-amino-4-chloro-7-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-[2-(diethylamino)ethyl]-4-methyl-1H-pyrrole-3-carboxamide;5-[(Z)-[2-amino-4-chloro-7-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-4-methyl-1H-pyrrole-3-carboxylic acid;2-amino-4-chloro-7-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;N',N'-diethylethane-1,2-diamine;(4,5-dimethyl-1,3-thiazol-2-yl)methanamine;ethyl 2-(2-amino-4,6-dichloropyrimidin-5-yl)acetate;5-formyl-1H-pyrrole-3-carboxylic acid

5-[(Z)-[2-amino-4-chloro-7-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-[2-(diethylamino)ethyl]-4-methyl-1H-pyrrole-3-carboxamide;5-[(Z)-[2-amino-4-chloro-7-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-4-methyl-1H-pyrrole-3-carboxylic acid;2-amino-4-chloro-7-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;N',N'-diethylethane-1,2-diamine;(4,5-dimethyl-1,3-thiazol-2-yl)methanamine;ethyl 2-(2-amino-4,6-dichloropyrimidin-5-yl)acetate;5-formyl-1H-pyrrole-3-carboxylic acid (PubChem CID 158819295) has the molecular formula C₈₂H₁₀₀Cl₅N₂₇O₁₁S₄ and a molecular weight of 1945.41 g/mol. Its IUPAC name is 5-[(Z)-[2-amino-4-chloro-7-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-[2-(diethylamino)ethyl]-4-methyl-1H-pyrrole-3-carboxamide;5-[(Z)-[2-amino-4-chloro-7-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-4-methyl-1H-pyrrole-3-carboxylic acid;2-amino-4-chloro-7-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;N',N'-diethylethane-1,2-diamine;(4,5-dimethyl-1,3-thiazol-2-yl)methanamine;ethyl 2-(2-amino-4,6-dichloropyrimidin-5-yl)acetate;5-formyl-1H-pyrrole-3-carboxylic acid.

Molecular Properties

• Compound Name: 5-[(Z)-[2-amino-4-chloro-7-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-[2-(diethylamino)ethyl]-4-methyl-1H-pyrrole-3-carboxamide;5-[(Z)-[2-amino-4-chloro-7-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-4-methyl-1H-pyrrole-3-carboxylic acid;2-amino-4-chloro-7-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;N',N'-diethylethane-1,2-diamine;(4,5-dimethyl-1,3-thiazol-2-yl)methanamine;ethyl 2-(2-amino-4,6-dichloropyrimidin-5-yl)acetate;5-formyl-1H-pyrrole-3-carboxylic acid
• PubChem CID: 158819295
• Molecular Formula: C₈₂H₁₀₀Cl₅N₂₇O₁₁S₄
• Molecular Weight: 1945.41 g/mol
• Exact Mass: 1941.54
• IUPAC Name: 5-[(Z)-[2-amino-4-chloro-7-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-[2-(diethylamino)ethyl]-4-methyl-1H-pyrrole-3-carboxamide;5-[(Z)-[2-amino-4-chloro-7-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-4-methyl-1H-pyrrole-3-carboxylic acid;2-amino-4-chloro-7-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;N',N'-diethylethane-1,2-diamine;(4,5-dimethyl-1,3-thiazol-2-yl)methanamine;ethyl 2-(2-amino-4,6-dichloropyrimidin-5-yl)acetate;5-formyl-1H-pyrrole-3-carboxylic acid
• SMILES: CCN(CC)CCN.CCN(CC)CCNC(=O)c1c[nH]c(/C=C2\C(=O)N(Cc3nc(C)c(C)s3)c3nc(N)nc(Cl)c32)c1C.CCOC(=O)Cc1c(Cl)nc(N)nc1Cl.Cc1nc(CN)sc1C.Cc1nc(CN2C(=O)/C(=C\c3[nH]cc(C(=O)O)c3C)c3c(Cl)nc(N)nc32)sc1C.Cc1nc(CN2C(=O)Cc3c(Cl)nc(N)nc32)sc1C.O=Cc1cc(C(=O)O)c[nH]1
• InChI: InChI=1S/C25H31ClN8O2S.C19H17ClN6O3S.C12H12ClN5OS.C8H9Cl2N3O2.C6H10N2S.C6H16N2.C6H5NO3/c1-6-33(7-2)9-8-28-23(35)17-11-29-18(13(17)3)10-16-20-21(26)31-25(27)32-22(20)34(24(16)36)12-19-30-14(4)15(5)37-19;1-7-11(18(28)29)5-22-12(7)4-10-14-15(20)24-19(21)25-16(14)26(17(10)27)6-13-23-8(2)9(3)30-13;1-5-6(2)20-8(15-5)4-18-9(19)3-7-10(13)16-12(14)17-11(7)18;1-2-15-5(14)3-4-6(9)12-8(11)13-7(4)10;1-4-5(2)9-6(3-7)8-4;1-3-8(4-2)6-5-7;8-3-5-1-4(2-7-5)6(9)10/h10-11,29H,6-9,12H2,1-5H3,(H,28,35)(H2,27,31,32);4-5,22H,6H2,1-3H3,(H,28,29)(H2,21,24,25);3-4H2,1-2H3,(H2,14,16,17);2-3H2,1H3,(H2,11,12,13);3,7H2,1-2H3;3-7H2,1-2H3;1-3,7H,(H,9,10)/b16-10-;10-4-
• InChIKey: IVQWNILADDPBMN-PTHSLHSESA-N
• XLogP: 12.17
• TPSA: 572.65 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 33
• Rotatable Bonds: 25
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1945.41
LogP ≤ 5	12.17
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-[2-amino-4-chloro-7-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-[2-(diethylamino)ethyl]-4-methyl-1H-pyrrole-3-carboxamide;5-[(Z)-[2-amino-4-chloro-7-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-4-methyl-1H-pyrrole-3-carboxylic acid;2-amino-4-chloro-7-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;N',N'-diethylethane-1,2-diamine;(4,5-dimethyl-1,3-thiazol-2-yl)methanamine;ethyl 2-(2-amino-4,6-dichloropyrimidin-5-yl)acetate;5-formyl-1H-pyrrole-3-carboxylic acid?

The IUPAC name of 5-[(Z)-[2-amino-4-chloro-7-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-[2-(diethylamino)ethyl]-4-methyl-1H-pyrrole-3-carboxamide;5-[(Z)-[2-amino-4-chloro-7-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-4-methyl-1H-pyrrole-3-carboxylic acid;2-amino-4-chloro-7-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;N',N'-diethylethane-1,2-diamine;(4,5-dimethyl-1,3-thiazol-2-yl)methanamine;ethyl 2-(2-amino-4,6-dichloropyrimidin-5-yl)acetate;5-formyl-1H-pyrrole-3-carboxylic acid (CID 158819295) is 5-[(Z)-[2-amino-4-chloro-7-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-[2-(diethylamino)ethyl]-4-methyl-1H-pyrrole-3-carboxamide;5-[(Z)-[2-amino-4-chloro-7-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-4-methyl-1H-pyrrole-3-carboxylic acid;2-amino-4-chloro-7-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;N',N'-diethylethane-1,2-diamine;(4,5-dimethyl-1,3-thiazol-2-yl)methanamine;ethyl 2-(2-amino-4,6-dichloropyrimidin-5-yl)acetate;5-formyl-1H-pyrrole-3-carboxylic acid.

What is the SMILES notation for 5-[(Z)-[2-amino-4-chloro-7-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-[2-(diethylamino)ethyl]-4-methyl-1H-pyrrole-3-carboxamide;5-[(Z)-[2-amino-4-chloro-7-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-4-methyl-1H-pyrrole-3-carboxylic acid;2-amino-4-chloro-7-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;N',N'-diethylethane-1,2-diamine;(4,5-dimethyl-1,3-thiazol-2-yl)methanamine;ethyl 2-(2-amino-4,6-dichloropyrimidin-5-yl)acetate;5-formyl-1H-pyrrole-3-carboxylic acid?

The canonical SMILES for 5-[(Z)-[2-amino-4-chloro-7-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-[2-(diethylamino)ethyl]-4-methyl-1H-pyrrole-3-carboxamide;5-[(Z)-[2-amino-4-chloro-7-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-4-methyl-1H-pyrrole-3-carboxylic acid;2-amino-4-chloro-7-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;N',N'-diethylethane-1,2-diamine;(4,5-dimethyl-1,3-thiazol-2-yl)methanamine;ethyl 2-(2-amino-4,6-dichloropyrimidin-5-yl)acetate;5-formyl-1H-pyrrole-3-carboxylic acid is CCN(CC)CCN.CCN(CC)CCNC(=O)c1c[nH]c(/C=C2\C(=O)N(Cc3nc(C)c(C)s3)c3nc(N)nc(Cl)c32)c1C.CCOC(=O)Cc1c(Cl)nc(N)nc1Cl.Cc1nc(CN)sc1C.Cc1nc(CN2C(=O)/C(=C\c3[nH]cc(C(=O)O)c3C)c3c(Cl)nc(N)nc32)sc1C.Cc1nc(CN2C(=O)Cc3c(Cl)nc(N)nc32)sc1C.O=Cc1cc(C(=O)O)c[nH]1.

What is the InChIKey of 5-[(Z)-[2-amino-4-chloro-7-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-[2-(diethylamino)ethyl]-4-methyl-1H-pyrrole-3-carboxamide;5-[(Z)-[2-amino-4-chloro-7-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-4-methyl-1H-pyrrole-3-carboxylic acid;2-amino-4-chloro-7-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;N',N'-diethylethane-1,2-diamine;(4,5-dimethyl-1,3-thiazol-2-yl)methanamine;ethyl 2-(2-amino-4,6-dichloropyrimidin-5-yl)acetate;5-formyl-1H-pyrrole-3-carboxylic acid?

The InChIKey is IVQWNILADDPBMN-PTHSLHSESA-N. The full InChI is InChI=1S/C25H31ClN8O2S.C19H17ClN6O3S.C12H12ClN5OS.C8H9Cl2N3O2.C6H10N2S.C6H16N2.C6H5NO3/c1-6-33(7-2)9-8-28-23(35)17-11-29-18(13(17)3)10-16-20-21(26)31-25(27)32-22(20)34(24(16)36)12-19-30-14(4)15(5)37-19;1-7-11(18(28)29)5-22-12(7)4-10-14-15(20)24-19(21)25-16(14)26(17(10)27)6-13-23-8(2)9(3)30-13;1-5-6(2)20-8(15-5)4-18-9(19)3-7-10(13)16-12(14)17-11(7)18;1-2-15-5(14)3-4-6(9)12-8(11)13-7(4)10;1-4-5(2)9-6(3-7)8-4;1-3-8(4-2)6-5-7;8-3-5-1-4(2-7-5)6(9)10/h10-11,29H,6-9,12H2,1-5H3,(H,28,35)(H2,27,31,32);4-5,22H,6H2,1-3H3,(H,28,29)(H2,21,24,25);3-4H2,1-2H3,(H2,14,16,17);2-3H2,1H3,(H2,11,12,13);3,7H2,1-2H3;3-7H2,1-2H3;1-3,7H,(H,9,10)/b16-10-;10-4-;;;;;.

What are the key properties of 5-[(Z)-[2-amino-4-chloro-7-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-[2-(diethylamino)ethyl]-4-methyl-1H-pyrrole-3-carboxamide;5-[(Z)-[2-amino-4-chloro-7-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-4-methyl-1H-pyrrole-3-carboxylic acid;2-amino-4-chloro-7-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;N',N'-diethylethane-1,2-diamine;(4,5-dimethyl-1,3-thiazol-2-yl)methanamine;ethyl 2-(2-amino-4,6-dichloropyrimidin-5-yl)acetate;5-formyl-1H-pyrrole-3-carboxylic acid?

5-[(Z)-[2-amino-4-chloro-7-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-[2-(diethylamino)ethyl]-4-methyl-1H-pyrrole-3-carboxamide;5-[(Z)-[2-amino-4-chloro-7-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-4-methyl-1H-pyrrole-3-carboxylic acid;2-amino-4-chloro-7-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;N',N'-diethylethane-1,2-diamine;(4,5-dimethyl-1,3-thiazol-2-yl)methanamine;ethyl 2-(2-amino-4,6-dichloropyrimidin-5-yl)acetate;5-formyl-1H-pyrrole-3-carboxylic acid has a molecular weight of 1945.41 g/mol, XLogP of 12.17, 25 rotatable bonds, 12 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(Z)-[2-amino-4-chloro-7-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-[2-(diethylamino)ethyl]-4-methyl-1H-pyrrole-3-carboxamide;5-[(Z)-[2-amino-4-chloro-7-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-4-methyl-1H-pyrrole-3-carboxylic acid;2-amino-4-chloro-7-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;N',N'-diethylethane-1,2-diamine;(4,5-dimethyl-1,3-thiazol-2-yl)methanamine;ethyl 2-(2-amino-4,6-dichloropyrimidin-5-yl)acetate;5-formyl-1H-pyrrole-3-carboxylic acid is sourced from PubChem (CID 158819295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158819295 — identifiers, structure, computed properties (public domain)

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