(5Z)-2-amino-4-chloro-5-[[5-(4-hydroxypiperidine-1-carbonyl)-1H-imidazol-2-yl]methylidene]-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-[[5-[2-(oxan-4-yl)-2-oxoethyl]-1H-imidazol-2-yl]methylidene]pyrrolo[2,3-d]pyrimidin-6-one;2-[(Z)-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-(4-hydroxycyclohexyl)-1H-imidazole-5-carboxamide

C77H84Cl3N23O12 — CID 159534338

About (5Z)-2-amino-4-chloro-5-[[5-(4-hydroxypiperidine-1-carbonyl)-1H-imidazol-2-yl]methylidene]-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-[[5-[2-(oxan-4-yl)-2-oxoethyl]-1H-imidazol-2-yl]methylidene]pyrrolo[2,3-d]pyrimidin-6-one;2-[(Z)-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-(4-hydroxycyclohexyl)-1H-imidazole-5-carboxamide

(5Z)-2-amino-4-chloro-5-[[5-(4-hydroxypiperidine-1-carbonyl)-1H-imidazol-2-yl]methylidene]-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-[[5-[2-(oxan-4-yl)-2-oxoethyl]-1H-imidazol-2-yl]methylidene]pyrrolo[2,3-d]pyrimidin-6-one;2-[(Z)-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-(4-hydroxycyclohexyl)-1H-imidazole-5-carboxamide (PubChem CID 159534338) has the molecular formula C77H84Cl3N23O12 and a molecular weight of 1630.03 g/mol. Its IUPAC name is (5Z)-2-amino-4-chloro-5-[[5-(4-hydroxypiperidine-1-carbonyl)-1H-imidazol-2-yl]methylidene]-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-[[5-[2-(oxan-4-yl)-2-oxoethyl]-1H-imidazol-2-yl]methylidene]pyrrolo[2,3-d]pyrimidin-6-one;2-[(Z)-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-(4-hydroxycyclohexyl)-1H-imidazole-5-carboxamide.

Molecular Properties

• Compound Name: (5Z)-2-amino-4-chloro-5-[[5-(4-hydroxypiperidine-1-carbonyl)-1H-imidazol-2-yl]methylidene]-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-[[5-[2-(oxan-4-yl)-2-oxoethyl]-1H-imidazol-2-yl]methylidene]pyrrolo[2,3-d]pyrimidin-6-one;2-[(Z)-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-(4-hydroxycyclohexyl)-1H-imidazole-5-carboxamide
• PubChem CID: 159534338
• Molecular Formula: C77H84Cl3N23O12
• Molecular Weight: 1630.03 g/mol
• Exact Mass: 1627.57
• IUPAC Name: (5Z)-2-amino-4-chloro-5-[[5-(4-hydroxypiperidine-1-carbonyl)-1H-imidazol-2-yl]methylidene]-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-[[5-[2-(oxan-4-yl)-2-oxoethyl]-1H-imidazol-2-yl]methylidene]pyrrolo[2,3-d]pyrimidin-6-one;2-[(Z)-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-(4-hydroxycyclohexyl)-1H-imidazole-5-carboxamide
• SMILES: COc1c(C)cnc(CN2C(=O)/C(=C\c3ncc(C(=O)N4CCC(O)CC4)[nH]3)c3c(Cl)nc(N)nc32)c1C.COc1c(C)cnc(CN2C(=O)/C(=C\c3ncc(C(=O)NC4CCC(O)CC4)[nH]3)c3c(Cl)nc(N)nc32)c1C.COc1c(C)cnc(CN2C(=O)/C(=C\c3ncc(CC(=O)C4CCOCC4)[nH]3)c3c(Cl)nc(N)nc32)c1C
• InChI: InChI=1S/C26H29ClN8O4.C26H28ClN7O4.C25H27ClN8O4/c1-12-9-29-18(13(2)21(12)39-3)11-35-23-20(22(27)33-26(28)34-23)16(25(35)38)8-19-30-10-17(32-19)24(37)31-14-4-6-15(36)7-5-14;1-13-10-29-18(14(2)22(13)37-3)12-34-24-21(23(27)32-26(28)33-24)17(25(34)36)9-20-30-11-16(31-20)8-19(35)15-4-6-38-7-5-15;1-12-9-28-17(13(2)20(12)38-3)11-34-22-19(21(26)31-25(27)32-22)15(23(34)36)8-18-29-10-16(30-18)24(37)33-6-4-14(35)5-7-33/h8-10,14-15,36H,4-7,11H2,1-3H3,(H,30,32)(H,31,37)(H2,28,33,34);9-11,15H,4-8,12H2,1-3H3,(H,30,31)(H2,28,32,33);8-10,14,35H,4-7,11H2,1-3H3,(H,29,30)(H2,27,31,32)/b16-8-;17-9-;15-8-
• InChIKey: MDJYJCWLIFOPDN-APVCOHHUSA-N
• XLogP: 7.80
• TPSA: 484.90 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 27
• Rotatable Bonds: 18
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1630.03
LogP ≤ 5	7.80
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-amino-4-chloro-5-[[5-(4-hydroxypiperidine-1-carbonyl)-1H-imidazol-2-yl]methylidene]-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-[[5-[2-(oxan-4-yl)-2-oxoethyl]-1H-imidazol-2-yl]methylidene]pyrrolo[2,3-d]pyrimidin-6-one;2-[(Z)-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-(4-hydroxycyclohexyl)-1H-imidazole-5-carboxamide?

The IUPAC name of (5Z)-2-amino-4-chloro-5-[[5-(4-hydroxypiperidine-1-carbonyl)-1H-imidazol-2-yl]methylidene]-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-[[5-[2-(oxan-4-yl)-2-oxoethyl]-1H-imidazol-2-yl]methylidene]pyrrolo[2,3-d]pyrimidin-6-one;2-[(Z)-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-(4-hydroxycyclohexyl)-1H-imidazole-5-carboxamide (CID 159534338) is (5Z)-2-amino-4-chloro-5-[[5-(4-hydroxypiperidine-1-carbonyl)-1H-imidazol-2-yl]methylidene]-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-[[5-[2-(oxan-4-yl)-2-oxoethyl]-1H-imidazol-2-yl]methylidene]pyrrolo[2,3-d]pyrimidin-6-one;2-[(Z)-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-(4-hydroxycyclohexyl)-1H-imidazole-5-carboxamide.

What is the SMILES notation for (5Z)-2-amino-4-chloro-5-[[5-(4-hydroxypiperidine-1-carbonyl)-1H-imidazol-2-yl]methylidene]-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-[[5-[2-(oxan-4-yl)-2-oxoethyl]-1H-imidazol-2-yl]methylidene]pyrrolo[2,3-d]pyrimidin-6-one;2-[(Z)-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-(4-hydroxycyclohexyl)-1H-imidazole-5-carboxamide?

The canonical SMILES for (5Z)-2-amino-4-chloro-5-[[5-(4-hydroxypiperidine-1-carbonyl)-1H-imidazol-2-yl]methylidene]-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-[[5-[2-(oxan-4-yl)-2-oxoethyl]-1H-imidazol-2-yl]methylidene]pyrrolo[2,3-d]pyrimidin-6-one;2-[(Z)-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-(4-hydroxycyclohexyl)-1H-imidazole-5-carboxamide is COc1c(C)cnc(CN2C(=O)/C(=C\c3ncc(C(=O)N4CCC(O)CC4)[nH]3)c3c(Cl)nc(N)nc32)c1C.COc1c(C)cnc(CN2C(=O)/C(=C\c3ncc(C(=O)NC4CCC(O)CC4)[nH]3)c3c(Cl)nc(N)nc32)c1C.COc1c(C)cnc(CN2C(=O)/C(=C\c3ncc(CC(=O)C4CCOCC4)[nH]3)c3c(Cl)nc(N)nc32)c1C.

What is the InChIKey of (5Z)-2-amino-4-chloro-5-[[5-(4-hydroxypiperidine-1-carbonyl)-1H-imidazol-2-yl]methylidene]-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-[[5-[2-(oxan-4-yl)-2-oxoethyl]-1H-imidazol-2-yl]methylidene]pyrrolo[2,3-d]pyrimidin-6-one;2-[(Z)-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-(4-hydroxycyclohexyl)-1H-imidazole-5-carboxamide?

The InChIKey is MDJYJCWLIFOPDN-APVCOHHUSA-N. The full InChI is InChI=1S/C26H29ClN8O4.C26H28ClN7O4.C25H27ClN8O4/c1-12-9-29-18(13(2)21(12)39-3)11-35-23-20(22(27)33-26(28)34-23)16(25(35)38)8-19-30-10-17(32-19)24(37)31-14-4-6-15(36)7-5-14;1-13-10-29-18(14(2)22(13)37-3)12-34-24-21(23(27)32-26(28)33-24)17(25(34)36)9-20-30-11-16(31-20)8-19(35)15-4-6-38-7-5-15;1-12-9-28-17(13(2)20(12)38-3)11-34-22-19(21(26)31-25(27)32-22)15(23(34)36)8-18-29-10-16(30-18)24(37)33-6-4-14(35)5-7-33/h8-10,14-15,36H,4-7,11H2,1-3H3,(H,30,32)(H,31,37)(H2,28,33,34);9-11,15H,4-8,12H2,1-3H3,(H,30,31)(H2,28,32,33);8-10,14,35H,4-7,11H2,1-3H3,(H,29,30)(H2,27,31,32)/b16-8-;17-9-;15-8-.

What are the key properties of (5Z)-2-amino-4-chloro-5-[[5-(4-hydroxypiperidine-1-carbonyl)-1H-imidazol-2-yl]methylidene]-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-[[5-[2-(oxan-4-yl)-2-oxoethyl]-1H-imidazol-2-yl]methylidene]pyrrolo[2,3-d]pyrimidin-6-one;2-[(Z)-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-(4-hydroxycyclohexyl)-1H-imidazole-5-carboxamide?

(5Z)-2-amino-4-chloro-5-[[5-(4-hydroxypiperidine-1-carbonyl)-1H-imidazol-2-yl]methylidene]-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-[[5-[2-(oxan-4-yl)-2-oxoethyl]-1H-imidazol-2-yl]methylidene]pyrrolo[2,3-d]pyrimidin-6-one;2-[(Z)-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-(4-hydroxycyclohexyl)-1H-imidazole-5-carboxamide has a molecular weight of 1630.03 g/mol, XLogP of 7.80, 18 rotatable bonds, 9 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-2-amino-4-chloro-5-[[5-(4-hydroxypiperidine-1-carbonyl)-1H-imidazol-2-yl]methylidene]-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-[[5-[2-(oxan-4-yl)-2-oxoethyl]-1H-imidazol-2-yl]methylidene]pyrrolo[2,3-d]pyrimidin-6-one;2-[(Z)-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-(4-hydroxycyclohexyl)-1H-imidazole-5-carboxamide is sourced from PubChem (CID 159534338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).