(5Z)-2-amino-4-chloro-5-[[4-[2-[2-(diethylamino)ethoxy]acetyl]-1H-pyrrol-2-yl]methylidene]-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-[[3,5-dimethyl-4-[2-(2-pyrrolidin-1-ylethoxy)acetyl]-1H-pyrrol-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-[[4-[2-(2-morpholin-4-ylethoxy)acetyl]-1H-pyrrol-2-yl]methylidene]pyrrolo[2,3-d]pyrimidin-6-one

C86H102Cl3N21O13 — CID 157368423

About (5Z)-2-amino-4-chloro-5-[[4-[2-[2-(diethylamino)ethoxy]acetyl]-1H-pyrrol-2-yl]methylidene]-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-[[3,5-dimethyl-4-[2-(2-pyrrolidin-1-ylethoxy)acetyl]-1H-pyrrol-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-[[4-[2-(2-morpholin-4-ylethoxy)acetyl]-1H-pyrrol-2-yl]methylidene]pyrrolo[2,3-d]pyrimidin-6-one

(5Z)-2-amino-4-chloro-5-[[4-[2-[2-(diethylamino)ethoxy]acetyl]-1H-pyrrol-2-yl]methylidene]-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-[[3,5-dimethyl-4-[2-(2-pyrrolidin-1-ylethoxy)acetyl]-1H-pyrrol-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-[[4-[2-(2-morpholin-4-ylethoxy)acetyl]-1H-pyrrol-2-yl]methylidene]pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 157368423) has the molecular formula C86H102Cl3N21O13 and a molecular weight of 1744.25 g/mol. Its IUPAC name is (5Z)-2-amino-4-chloro-5-[[4-[2-[2-(diethylamino)ethoxy]acetyl]-1H-pyrrol-2-yl]methylidene]-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-[[3,5-dimethyl-4-[2-(2-pyrrolidin-1-ylethoxy)acetyl]-1H-pyrrol-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-[[4-[2-(2-morpholin-4-ylethoxy)acetyl]-1H-pyrrol-2-yl]methylidene]pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

• Compound Name: (5Z)-2-amino-4-chloro-5-[[4-[2-[2-(diethylamino)ethoxy]acetyl]-1H-pyrrol-2-yl]methylidene]-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-[[3,5-dimethyl-4-[2-(2-pyrrolidin-1-ylethoxy)acetyl]-1H-pyrrol-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-[[4-[2-(2-morpholin-4-ylethoxy)acetyl]-1H-pyrrol-2-yl]methylidene]pyrrolo[2,3-d]pyrimidin-6-one
• PubChem CID: 157368423
• Molecular Formula: C86H102Cl3N21O13
• Molecular Weight: 1744.25 g/mol
• Exact Mass: 1741.70
• IUPAC Name: (5Z)-2-amino-4-chloro-5-[[4-[2-[2-(diethylamino)ethoxy]acetyl]-1H-pyrrol-2-yl]methylidene]-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-[[3,5-dimethyl-4-[2-(2-pyrrolidin-1-ylethoxy)acetyl]-1H-pyrrol-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-[[4-[2-(2-morpholin-4-ylethoxy)acetyl]-1H-pyrrol-2-yl]methylidene]pyrrolo[2,3-d]pyrimidin-6-one
• SMILES: CCN(CC)CCOCC(=O)c1c[nH]c(/C=C2\C(=O)N(Cc3ncc(C)c(OC)c3C)c3nc(N)nc(Cl)c32)c1.COc1c(C)cnc(CN2C(=O)/C(=C\c3[nH]c(C)c(C(=O)COCCN4CCCC4)c3C)c3c(Cl)nc(N)nc32)c1C.COc1c(C)cnc(CN2C(=O)/C(=C\c3cc(C(=O)COCCN4CCOCC4)c[nH]3)c3c(Cl)nc(N)nc32)c1C
• InChI: InChI=1S/C30H36ClN7O4.C28H32ClN7O5.C28H34ClN7O4/c1-16-13-33-22(18(3)26(16)41-5)14-38-28-25(27(31)35-30(32)36-28)20(29(38)40)12-21-17(2)24(19(4)34-21)23(39)15-42-11-10-37-8-6-7-9-37;1-16-12-32-21(17(2)24(16)39-3)14-36-26-23(25(29)33-28(30)34-26)20(27(36)38)11-19-10-18(13-31-19)22(37)15-41-9-6-35-4-7-40-8-5-35;1-6-35(7-2)8-9-40-15-22(37)18-10-19(31-13-18)11-20-23-25(29)33-28(30)34-26(23)36(27(20)38)14-21-17(4)24(39-5)16(3)12-32-21/h12-13,34H,6-11,14-15H2,1-5H3,(H2,32,35,36);10-13,31H,4-9,14-15H2,1-3H3,(H2,30,33,34);10-13,31H,6-9,14-15H2,1-5H3,(H2,30,33,34)/b20-12-;2*20-11-
• InChIKey: BJLRHYSKCGRQOC-LPUGPJOISA-N
• XLogP: 10.43
• TPSA: 427.91 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 28
• Rotatable Bonds: 32
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1744.25
LogP ≤ 5	10.43
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	28

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 (5Z)-2-amino-4-chloro-5-[[4-[2-[2-(diethylamino)ethoxy]acetyl]-1H-pyrrol-2-yl]methylidene]-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-[[3,5-dimethyl-4-[2-(2-pyrrolidin-1-ylethoxy)acetyl]-1H-pyrrol-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-[[4-[2-(2-morpholin-4-ylethoxy)acetyl]-1H-pyrrol-2-yl]methylidene]pyrrolo[2,3-d]pyrimidin-6-one?

The IUPAC name of (5Z)-2-amino-4-chloro-5-[[4-[2-[2-(diethylamino)ethoxy]acetyl]-1H-pyrrol-2-yl]methylidene]-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-[[3,5-dimethyl-4-[2-(2-pyrrolidin-1-ylethoxy)acetyl]-1H-pyrrol-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-[[4-[2-(2-morpholin-4-ylethoxy)acetyl]-1H-pyrrol-2-yl]methylidene]pyrrolo[2,3-d]pyrimidin-6-one (CID 157368423) is (5Z)-2-amino-4-chloro-5-[[4-[2-[2-(diethylamino)ethoxy]acetyl]-1H-pyrrol-2-yl]methylidene]-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-[[3,5-dimethyl-4-[2-(2-pyrrolidin-1-ylethoxy)acetyl]-1H-pyrrol-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-[[4-[2-(2-morpholin-4-ylethoxy)acetyl]-1H-pyrrol-2-yl]methylidene]pyrrolo[2,3-d]pyrimidin-6-one.

What is the SMILES notation for (5Z)-2-amino-4-chloro-5-[[4-[2-[2-(diethylamino)ethoxy]acetyl]-1H-pyrrol-2-yl]methylidene]-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-[[3,5-dimethyl-4-[2-(2-pyrrolidin-1-ylethoxy)acetyl]-1H-pyrrol-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-[[4-[2-(2-morpholin-4-ylethoxy)acetyl]-1H-pyrrol-2-yl]methylidene]pyrrolo[2,3-d]pyrimidin-6-one?

The canonical SMILES for (5Z)-2-amino-4-chloro-5-[[4-[2-[2-(diethylamino)ethoxy]acetyl]-1H-pyrrol-2-yl]methylidene]-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-[[3,5-dimethyl-4-[2-(2-pyrrolidin-1-ylethoxy)acetyl]-1H-pyrrol-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-[[4-[2-(2-morpholin-4-ylethoxy)acetyl]-1H-pyrrol-2-yl]methylidene]pyrrolo[2,3-d]pyrimidin-6-one is CCN(CC)CCOCC(=O)c1c[nH]c(/C=C2\C(=O)N(Cc3ncc(C)c(OC)c3C)c3nc(N)nc(Cl)c32)c1.COc1c(C)cnc(CN2C(=O)/C(=C\c3[nH]c(C)c(C(=O)COCCN4CCCC4)c3C)c3c(Cl)nc(N)nc32)c1C.COc1c(C)cnc(CN2C(=O)/C(=C\c3cc(C(=O)COCCN4CCOCC4)c[nH]3)c3c(Cl)nc(N)nc32)c1C.

What is the InChIKey of (5Z)-2-amino-4-chloro-5-[[4-[2-[2-(diethylamino)ethoxy]acetyl]-1H-pyrrol-2-yl]methylidene]-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-[[3,5-dimethyl-4-[2-(2-pyrrolidin-1-ylethoxy)acetyl]-1H-pyrrol-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-[[4-[2-(2-morpholin-4-ylethoxy)acetyl]-1H-pyrrol-2-yl]methylidene]pyrrolo[2,3-d]pyrimidin-6-one?

The InChIKey is BJLRHYSKCGRQOC-LPUGPJOISA-N. The full InChI is InChI=1S/C30H36ClN7O4.C28H32ClN7O5.C28H34ClN7O4/c1-16-13-33-22(18(3)26(16)41-5)14-38-28-25(27(31)35-30(32)36-28)20(29(38)40)12-21-17(2)24(19(4)34-21)23(39)15-42-11-10-37-8-6-7-9-37;1-16-12-32-21(17(2)24(16)39-3)14-36-26-23(25(29)33-28(30)34-26)20(27(36)38)11-19-10-18(13-31-19)22(37)15-41-9-6-35-4-7-40-8-5-35;1-6-35(7-2)8-9-40-15-22(37)18-10-19(31-13-18)11-20-23-25(29)33-28(30)34-26(23)36(27(20)38)14-21-17(4)24(39-5)16(3)12-32-21/h12-13,34H,6-11,14-15H2,1-5H3,(H2,32,35,36);10-13,31H,4-9,14-15H2,1-3H3,(H2,30,33,34);10-13,31H,6-9,14-15H2,1-5H3,(H2,30,33,34)/b20-12-;2*20-11-.

What are the key properties of (5Z)-2-amino-4-chloro-5-[[4-[2-[2-(diethylamino)ethoxy]acetyl]-1H-pyrrol-2-yl]methylidene]-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-[[3,5-dimethyl-4-[2-(2-pyrrolidin-1-ylethoxy)acetyl]-1H-pyrrol-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-[[4-[2-(2-morpholin-4-ylethoxy)acetyl]-1H-pyrrol-2-yl]methylidene]pyrrolo[2,3-d]pyrimidin-6-one?

(5Z)-2-amino-4-chloro-5-[[4-[2-[2-(diethylamino)ethoxy]acetyl]-1H-pyrrol-2-yl]methylidene]-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-[[3,5-dimethyl-4-[2-(2-pyrrolidin-1-ylethoxy)acetyl]-1H-pyrrol-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-[[4-[2-(2-morpholin-4-ylethoxy)acetyl]-1H-pyrrol-2-yl]methylidene]pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 1744.25 g/mol, XLogP of 10.43, 32 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-2-amino-4-chloro-5-[[4-[2-[2-(diethylamino)ethoxy]acetyl]-1H-pyrrol-2-yl]methylidene]-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-[[3,5-dimethyl-4-[2-(2-pyrrolidin-1-ylethoxy)acetyl]-1H-pyrrol-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-[[4-[2-(2-morpholin-4-ylethoxy)acetyl]-1H-pyrrol-2-yl]methylidene]pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 157368423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).