5-[(Z)-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)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-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-4-methyl-1H-pyrrole-3-carboxylic acid;2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;N',N'-diethylethane-1,2-diamine;ethyl 2-chloro-5-formyl-4-methyl-1H-pyrrole-3-carboxylate;5-formyl-4-methyl-1H-pyrrole-3-carboxylic acid

C87H105Cl4N23O15 — CID 157197249

About 5-[(Z)-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)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-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-4-methyl-1H-pyrrole-3-carboxylic acid;2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;N',N'-diethylethane-1,2-diamine;ethyl 2-chloro-5-formyl-4-methyl-1H-pyrrole-3-carboxylate;5-formyl-4-methyl-1H-pyrrole-3-carboxylic acid

5-[(Z)-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)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-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-4-methyl-1H-pyrrole-3-carboxylic acid;2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;N',N'-diethylethane-1,2-diamine;ethyl 2-chloro-5-formyl-4-methyl-1H-pyrrole-3-carboxylate;5-formyl-4-methyl-1H-pyrrole-3-carboxylic acid (PubChem CID 157197249) has the molecular formula C87H105Cl4N23O15 and a molecular weight of 1854.75 g/mol. Its IUPAC name is 5-[(Z)-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)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-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-4-methyl-1H-pyrrole-3-carboxylic acid;2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;N',N'-diethylethane-1,2-diamine;ethyl 2-chloro-5-formyl-4-methyl-1H-pyrrole-3-carboxylate;5-formyl-4-methyl-1H-pyrrole-3-carboxylic acid.

Molecular Properties

• Compound Name: 5-[(Z)-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)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-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-4-methyl-1H-pyrrole-3-carboxylic acid;2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;N',N'-diethylethane-1,2-diamine;ethyl 2-chloro-5-formyl-4-methyl-1H-pyrrole-3-carboxylate;5-formyl-4-methyl-1H-pyrrole-3-carboxylic acid
• PubChem CID: 157197249
• Molecular Formula: C87H105Cl4N23O15
• Molecular Weight: 1854.75 g/mol
• Exact Mass: 1851.69
• IUPAC Name: 5-[(Z)-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)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-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-4-methyl-1H-pyrrole-3-carboxylic acid;2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;N',N'-diethylethane-1,2-diamine;ethyl 2-chloro-5-formyl-4-methyl-1H-pyrrole-3-carboxylate;5-formyl-4-methyl-1H-pyrrole-3-carboxylic acid
• SMILES: CCN(CC)CCN.CCN(CC)CCNC(=O)c1c[nH]c(/C=C2\C(=O)N(Cc3ncc(C)c(OC)c3C)c3nc(N)nc(Cl)c32)c1C.CCOC(=O)c1c(Cl)[nH]c(C=O)c1C.COc1c(C)cnc(CN2C(=O)/C(=C\c3[nH]cc(C(=O)O)c3C)c3c(Cl)nc(N)nc32)c1C.COc1c(C)cnc(CN2C(=O)Cc3c(Cl)nc(N)nc32)c1C.Cc1c(C(=O)O)c[nH]c1C=O
• InChI: InChI=1S/C28H35ClN8O3.C22H21ClN6O4.C15H16ClN5O2.C9H10ClNO3.C7H7NO3.C6H16N2/c1-7-36(8-2)10-9-31-26(38)19-13-33-20(16(19)4)11-18-22-24(29)34-28(30)35-25(22)37(27(18)39)14-21-17(5)23(40-6)15(3)12-32-21;1-9-6-25-15(11(3)17(9)33-4)8-29-19-16(18(23)27-22(24)28-19)12(20(29)30)5-14-10(2)13(7-26-14)21(31)32;1-7-5-18-10(8(2)12(7)23-3)6-21-11(22)4-9-13(16)19-15(17)20-14(9)21;1-3-14-9(13)7-5(2)6(4-12)11-8(7)10;1-4-5(7(10)11)2-8-6(4)3-9;1-3-8(4-2)6-5-7/h11-13,33H,7-10,14H2,1-6H3,(H,31,38)(H2,30,34,35);5-7,26H,8H2,1-4H3,(H,31,32)(H2,24,27,28);5H,4,6H2,1-3H3,(H2,17,19,20);4,11H,3H2,1-2H3;2-3,8H,1H3,(H,10,11);3-7H2,1-2H3/b18-11-;12-5-
• InChIKey: AQJSVHXDBZADQP-JFXXRICASA-N
• XLogP: 11.59
• TPSA: 542.49 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 28
• Rotatable Bonds: 27
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1854.75
LogP ≤ 5	11.59
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	28

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-methoxy-3,5-dimethyl-2-pyridinyl)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-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-4-methyl-1H-pyrrole-3-carboxylic acid;2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;N',N'-diethylethane-1,2-diamine;ethyl 2-chloro-5-formyl-4-methyl-1H-pyrrole-3-carboxylate;5-formyl-4-methyl-1H-pyrrole-3-carboxylic acid?

The IUPAC name of 5-[(Z)-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)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-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-4-methyl-1H-pyrrole-3-carboxylic acid;2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;N',N'-diethylethane-1,2-diamine;ethyl 2-chloro-5-formyl-4-methyl-1H-pyrrole-3-carboxylate;5-formyl-4-methyl-1H-pyrrole-3-carboxylic acid (CID 157197249) is 5-[(Z)-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)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-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-4-methyl-1H-pyrrole-3-carboxylic acid;2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;N',N'-diethylethane-1,2-diamine;ethyl 2-chloro-5-formyl-4-methyl-1H-pyrrole-3-carboxylate;5-formyl-4-methyl-1H-pyrrole-3-carboxylic acid.

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

The canonical SMILES for 5-[(Z)-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)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-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-4-methyl-1H-pyrrole-3-carboxylic acid;2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;N',N'-diethylethane-1,2-diamine;ethyl 2-chloro-5-formyl-4-methyl-1H-pyrrole-3-carboxylate;5-formyl-4-methyl-1H-pyrrole-3-carboxylic acid is CCN(CC)CCN.CCN(CC)CCNC(=O)c1c[nH]c(/C=C2\C(=O)N(Cc3ncc(C)c(OC)c3C)c3nc(N)nc(Cl)c32)c1C.CCOC(=O)c1c(Cl)[nH]c(C=O)c1C.COc1c(C)cnc(CN2C(=O)/C(=C\c3[nH]cc(C(=O)O)c3C)c3c(Cl)nc(N)nc32)c1C.COc1c(C)cnc(CN2C(=O)Cc3c(Cl)nc(N)nc32)c1C.Cc1c(C(=O)O)c[nH]c1C=O.

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

The InChIKey is AQJSVHXDBZADQP-JFXXRICASA-N. The full InChI is InChI=1S/C28H35ClN8O3.C22H21ClN6O4.C15H16ClN5O2.C9H10ClNO3.C7H7NO3.C6H16N2/c1-7-36(8-2)10-9-31-26(38)19-13-33-20(16(19)4)11-18-22-24(29)34-28(30)35-25(22)37(27(18)39)14-21-17(5)23(40-6)15(3)12-32-21;1-9-6-25-15(11(3)17(9)33-4)8-29-19-16(18(23)27-22(24)28-19)12(20(29)30)5-14-10(2)13(7-26-14)21(31)32;1-7-5-18-10(8(2)12(7)23-3)6-21-11(22)4-9-13(16)19-15(17)20-14(9)21;1-3-14-9(13)7-5(2)6(4-12)11-8(7)10;1-4-5(7(10)11)2-8-6(4)3-9;1-3-8(4-2)6-5-7/h11-13,33H,7-10,14H2,1-6H3,(H,31,38)(H2,30,34,35);5-7,26H,8H2,1-4H3,(H,31,32)(H2,24,27,28);5H,4,6H2,1-3H3,(H2,17,19,20);4,11H,3H2,1-2H3;2-3,8H,1H3,(H,10,11);3-7H2,1-2H3/b18-11-;12-5-;;;;.

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

5-[(Z)-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)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-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-4-methyl-1H-pyrrole-3-carboxylic acid;2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;N',N'-diethylethane-1,2-diamine;ethyl 2-chloro-5-formyl-4-methyl-1H-pyrrole-3-carboxylate;5-formyl-4-methyl-1H-pyrrole-3-carboxylic acid has a molecular weight of 1854.75 g/mol, XLogP of 11.59, 27 rotatable bonds, 11 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(Z)-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)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-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-4-methyl-1H-pyrrole-3-carboxylic acid;2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;N',N'-diethylethane-1,2-diamine;ethyl 2-chloro-5-formyl-4-methyl-1H-pyrrole-3-carboxylate;5-formyl-4-methyl-1H-pyrrole-3-carboxylic acid is sourced from PubChem (CID 157197249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).