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-morpholin-4-ylethyl)-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]-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;ethanol;5-formyl-1H-pyrrole-3-carboxylic acid;2-morpholin-4-ylethanamine

C77H91Cl3N22O15 — CID 157259164

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-morpholin-4-ylethyl)-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]-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;ethanol;5-formyl-1H-pyrrole-3-carboxylic acid;2-morpholin-4-ylethanamine

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-morpholin-4-ylethyl)-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]-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;ethanol;5-formyl-1H-pyrrole-3-carboxylic acid;2-morpholin-4-ylethanamine (PubChem CID 157259164) has the molecular formula C77H91Cl3N22O15 and a molecular weight of 1671.07 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-morpholin-4-ylethyl)-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]-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;ethanol;5-formyl-1H-pyrrole-3-carboxylic acid;2-morpholin-4-ylethanamine.

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-morpholin-4-ylethyl)-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]-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;ethanol;5-formyl-1H-pyrrole-3-carboxylic acid;2-morpholin-4-ylethanamine
• PubChem CID: 157259164
• Molecular Formula: C77H91Cl3N22O15
• Molecular Weight: 1671.07 g/mol
• Exact Mass: 1668.61
• 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-morpholin-4-ylethyl)-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]-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;ethanol;5-formyl-1H-pyrrole-3-carboxylic acid;2-morpholin-4-ylethanamine
• SMILES: CCO.COc1c(C)cnc(CN2C(=O)/C(=C\c3cc(C(=O)NCCN4CCOCC4)c[nH]3)c3c(Cl)nc(N)nc32)c1C.COc1c(C)cnc(CN2C(=O)/C(=C\c3cc(C(=O)O)c[nH]3)c3c(Cl)nc(N)nc32)c1C.COc1c(C)cnc(CN2C(=O)Cc3c(Cl)nc(N)nc32)c1C.NCCN1CCOCC1.O=Cc1cc(C(=O)O)c[nH]1
• InChI: InChI=1S/C27H31ClN8O4.C21H19ClN6O4.C15H16ClN5O2.C6H14N2O.C6H5NO3.C2H6O/c1-15-12-32-20(16(2)22(15)39-3)14-36-24-21(23(28)33-27(29)34-24)19(26(36)38)11-18-10-17(13-31-18)25(37)30-4-5-35-6-8-40-9-7-35;1-9-6-25-14(10(2)16(9)32-3)8-28-18-15(17(22)26-21(23)27-18)13(19(28)29)5-12-4-11(7-24-12)20(30)31;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;7-1-2-8-3-5-9-6-4-8;8-3-5-1-4(2-7-5)6(9)10;1-2-3/h10-13,31H,4-9,14H2,1-3H3,(H,30,37)(H2,29,33,34);4-7,24H,8H2,1-3H3,(H,30,31)(H2,23,26,27);5H,4,6H2,1-3H3,(H2,17,19,20);1-7H2;1-3,7H,(H,9,10);3H,2H2,1H3/b19-11-;13-5-
• InChIKey: AXGHJJFBQPZGLK-BIZIIDRRSA-N
• XLogP: 6.68
• TPSA: 522.02 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 28
• Rotatable Bonds: 20
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1671.07
LogP ≤ 5	6.68
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-morpholin-4-ylethyl)-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]-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;ethanol;5-formyl-1H-pyrrole-3-carboxylic acid;2-morpholin-4-ylethanamine?

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-morpholin-4-ylethyl)-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]-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;ethanol;5-formyl-1H-pyrrole-3-carboxylic acid;2-morpholin-4-ylethanamine (CID 157259164) 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-morpholin-4-ylethyl)-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]-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;ethanol;5-formyl-1H-pyrrole-3-carboxylic acid;2-morpholin-4-ylethanamine.

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-morpholin-4-ylethyl)-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]-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;ethanol;5-formyl-1H-pyrrole-3-carboxylic acid;2-morpholin-4-ylethanamine?

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-morpholin-4-ylethyl)-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]-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;ethanol;5-formyl-1H-pyrrole-3-carboxylic acid;2-morpholin-4-ylethanamine is CCO.COc1c(C)cnc(CN2C(=O)/C(=C\c3cc(C(=O)NCCN4CCOCC4)c[nH]3)c3c(Cl)nc(N)nc32)c1C.COc1c(C)cnc(CN2C(=O)/C(=C\c3cc(C(=O)O)c[nH]3)c3c(Cl)nc(N)nc32)c1C.COc1c(C)cnc(CN2C(=O)Cc3c(Cl)nc(N)nc32)c1C.NCCN1CCOCC1.O=Cc1cc(C(=O)O)c[nH]1.

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-morpholin-4-ylethyl)-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]-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;ethanol;5-formyl-1H-pyrrole-3-carboxylic acid;2-morpholin-4-ylethanamine?

The InChIKey is AXGHJJFBQPZGLK-BIZIIDRRSA-N. The full InChI is InChI=1S/C27H31ClN8O4.C21H19ClN6O4.C15H16ClN5O2.C6H14N2O.C6H5NO3.C2H6O/c1-15-12-32-20(16(2)22(15)39-3)14-36-24-21(23(28)33-27(29)34-24)19(26(36)38)11-18-10-17(13-31-18)25(37)30-4-5-35-6-8-40-9-7-35;1-9-6-25-14(10(2)16(9)32-3)8-28-18-15(17(22)26-21(23)27-18)13(19(28)29)5-12-4-11(7-24-12)20(30)31;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;7-1-2-8-3-5-9-6-4-8;8-3-5-1-4(2-7-5)6(9)10;1-2-3/h10-13,31H,4-9,14H2,1-3H3,(H,30,37)(H2,29,33,34);4-7,24H,8H2,1-3H3,(H,30,31)(H2,23,26,27);5H,4,6H2,1-3H3,(H2,17,19,20);1-7H2;1-3,7H,(H,9,10);3H,2H2,1H3/b19-11-;13-5-;;;;.

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-morpholin-4-ylethyl)-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]-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;ethanol;5-formyl-1H-pyrrole-3-carboxylic acid;2-morpholin-4-ylethanamine?

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-morpholin-4-ylethyl)-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]-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;ethanol;5-formyl-1H-pyrrole-3-carboxylic acid;2-morpholin-4-ylethanamine has a molecular weight of 1671.07 g/mol, XLogP of 6.68, 20 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-morpholin-4-ylethyl)-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]-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;ethanol;5-formyl-1H-pyrrole-3-carboxylic acid;2-morpholin-4-ylethanamine is sourced from PubChem (CID 157259164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).