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-[[1-(2-hydroxyethyl)piperidin-3-yl]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]-N-[2-(4-hydroxypiperidin-1-yl)ethyl]-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]-N-(3-morpholin-4-ylpropyl)-1H-pyrrole-3-carboxamide

C85H101Cl3N24O12 — CID 159972652

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-[[1-(2-hydroxyethyl)piperidin-3-yl]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]-N-[2-(4-hydroxypiperidin-1-yl)ethyl]-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]-N-(3-morpholin-4-ylpropyl)-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]-N-[[1-(2-hydroxyethyl)piperidin-3-yl]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]-N-[2-(4-hydroxypiperidin-1-yl)ethyl]-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]-N-(3-morpholin-4-ylpropyl)-1H-pyrrole-3-carboxamide (PubChem CID 159972652) has the molecular formula C85H101Cl3N24O12 and a molecular weight of 1757.26 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-[[1-(2-hydroxyethyl)piperidin-3-yl]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]-N-[2-(4-hydroxypiperidin-1-yl)ethyl]-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]-N-(3-morpholin-4-ylpropyl)-1H-pyrrole-3-carboxamide.

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-[[1-(2-hydroxyethyl)piperidin-3-yl]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]-N-[2-(4-hydroxypiperidin-1-yl)ethyl]-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]-N-(3-morpholin-4-ylpropyl)-1H-pyrrole-3-carboxamide
• PubChem CID: 159972652
• Molecular Formula: C85H101Cl3N24O12
• Molecular Weight: 1757.26 g/mol
• Exact Mass: 1754.71
• 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-[[1-(2-hydroxyethyl)piperidin-3-yl]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]-N-[2-(4-hydroxypiperidin-1-yl)ethyl]-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]-N-(3-morpholin-4-ylpropyl)-1H-pyrrole-3-carboxamide
• SMILES: COc1c(C)cnc(CN2C(=O)/C(=C\c3cc(C(=O)NCC4CCCN(CCO)C4)c[nH]3)c3c(Cl)nc(N)nc32)c1C.COc1c(C)cnc(CN2C(=O)/C(=C\c3cc(C(=O)NCCCN4CCOCC4)c[nH]3)c3c(Cl)nc(N)nc32)c1C.COc1c(C)cnc(CN2C(=O)/C(=C\c3cc(C(=O)NCCN4CCC(O)CC4)c[nH]3)c3c(Cl)nc(N)nc32)c1C
• InChI: InChI=1S/C29H35ClN8O4.2C28H33ClN8O4/c1-16-11-33-22(17(2)24(16)42-3)15-38-26-23(25(30)35-29(31)36-26)21(28(38)41)10-20-9-19(13-32-20)27(40)34-12-18-5-4-6-37(14-18)7-8-39;1-15-12-33-21(16(2)23(15)41-3)14-37-25-22(24(29)34-28(30)35-25)20(27(37)40)11-18-10-17(13-32-18)26(39)31-6-9-36-7-4-19(38)5-8-36;1-16-13-33-21(17(2)23(16)40-3)15-37-25-22(24(29)34-28(30)35-25)20(27(37)39)12-19-11-18(14-32-19)26(38)31-5-4-6-36-7-9-41-10-8-36/h9-11,13,18,32,39H,4-8,12,14-15H2,1-3H3,(H,34,40)(H2,31,35,36);10-13,19,32,38H,4-9,14H2,1-3H3,(H,31,39)(H2,30,34,35);11-14,32H,4-10,15H2,1-3H3,(H,31,38)(H2,30,34,35)/b21-10-;20-11-;20-12-
• InChIKey: OETCNIVDPBRWQY-FHIAXYNWSA-N
• XLogP: 7.52
• TPSA: 476.77 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 27
• Rotatable Bonds: 26
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1757.26
LogP ≤ 5	7.52
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', '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-[[1-(2-hydroxyethyl)piperidin-3-yl]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]-N-[2-(4-hydroxypiperidin-1-yl)ethyl]-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]-N-(3-morpholin-4-ylpropyl)-1H-pyrrole-3-carboxamide?

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-[[1-(2-hydroxyethyl)piperidin-3-yl]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]-N-[2-(4-hydroxypiperidin-1-yl)ethyl]-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]-N-(3-morpholin-4-ylpropyl)-1H-pyrrole-3-carboxamide (CID 159972652) 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-[[1-(2-hydroxyethyl)piperidin-3-yl]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]-N-[2-(4-hydroxypiperidin-1-yl)ethyl]-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]-N-(3-morpholin-4-ylpropyl)-1H-pyrrole-3-carboxamide.

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-[[1-(2-hydroxyethyl)piperidin-3-yl]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]-N-[2-(4-hydroxypiperidin-1-yl)ethyl]-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]-N-(3-morpholin-4-ylpropyl)-1H-pyrrole-3-carboxamide?

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-[[1-(2-hydroxyethyl)piperidin-3-yl]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]-N-[2-(4-hydroxypiperidin-1-yl)ethyl]-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]-N-(3-morpholin-4-ylpropyl)-1H-pyrrole-3-carboxamide is COc1c(C)cnc(CN2C(=O)/C(=C\c3cc(C(=O)NCC4CCCN(CCO)C4)c[nH]3)c3c(Cl)nc(N)nc32)c1C.COc1c(C)cnc(CN2C(=O)/C(=C\c3cc(C(=O)NCCCN4CCOCC4)c[nH]3)c3c(Cl)nc(N)nc32)c1C.COc1c(C)cnc(CN2C(=O)/C(=C\c3cc(C(=O)NCCN4CCC(O)CC4)c[nH]3)c3c(Cl)nc(N)nc32)c1C.

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-[[1-(2-hydroxyethyl)piperidin-3-yl]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]-N-[2-(4-hydroxypiperidin-1-yl)ethyl]-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]-N-(3-morpholin-4-ylpropyl)-1H-pyrrole-3-carboxamide?

The InChIKey is OETCNIVDPBRWQY-FHIAXYNWSA-N. The full InChI is InChI=1S/C29H35ClN8O4.2C28H33ClN8O4/c1-16-11-33-22(17(2)24(16)42-3)15-38-26-23(25(30)35-29(31)36-26)21(28(38)41)10-20-9-19(13-32-20)27(40)34-12-18-5-4-6-37(14-18)7-8-39;1-15-12-33-21(16(2)23(15)41-3)14-37-25-22(24(29)34-28(30)35-25)20(27(37)40)11-18-10-17(13-32-18)26(39)31-6-9-36-7-4-19(38)5-8-36;1-16-13-33-21(17(2)23(16)40-3)15-37-25-22(24(29)34-28(30)35-25)20(27(37)39)12-19-11-18(14-32-19)26(38)31-5-4-6-36-7-9-41-10-8-36/h9-11,13,18,32,39H,4-8,12,14-15H2,1-3H3,(H,34,40)(H2,31,35,36);10-13,19,32,38H,4-9,14H2,1-3H3,(H,31,39)(H2,30,34,35);11-14,32H,4-10,15H2,1-3H3,(H,31,38)(H2,30,34,35)/b21-10-;20-11-;20-12-.

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-[[1-(2-hydroxyethyl)piperidin-3-yl]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]-N-[2-(4-hydroxypiperidin-1-yl)ethyl]-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]-N-(3-morpholin-4-ylpropyl)-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]-N-[[1-(2-hydroxyethyl)piperidin-3-yl]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]-N-[2-(4-hydroxypiperidin-1-yl)ethyl]-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]-N-(3-morpholin-4-ylpropyl)-1H-pyrrole-3-carboxamide has a molecular weight of 1757.26 g/mol, XLogP of 7.52, 26 rotatable bonds, 11 hydrogen bond donors, and 27 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-[[1-(2-hydroxyethyl)piperidin-3-yl]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]-N-[2-(4-hydroxypiperidin-1-yl)ethyl]-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]-N-(3-morpholin-4-ylpropyl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 159972652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).