(5Z)-2-amino-4-chloro-5-[[4-[2-(3,3-difluoropyrrolidin-1-yl)acetyl]-1H-pyrrol-2-yl]methylidene]-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;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-(4,4-difluoropiperidin-1-yl)ethyl]-2,4-dimethyl-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-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide

C85H96Cl3F4N23O11S — CID 158980369

About (5Z)-2-amino-4-chloro-5-[[4-[2-(3,3-difluoropyrrolidin-1-yl)acetyl]-1H-pyrrol-2-yl]methylidene]-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;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-(4,4-difluoropiperidin-1-yl)ethyl]-2,4-dimethyl-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-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide

(5Z)-2-amino-4-chloro-5-[[4-[2-(3,3-difluoropyrrolidin-1-yl)acetyl]-1H-pyrrol-2-yl]methylidene]-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;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-(4,4-difluoropiperidin-1-yl)ethyl]-2,4-dimethyl-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-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide (PubChem CID 158980369) has the molecular formula C85H96Cl3F4N23O11S and a molecular weight of 1830.27 g/mol. Its IUPAC name is (5Z)-2-amino-4-chloro-5-[[4-[2-(3,3-difluoropyrrolidin-1-yl)acetyl]-1H-pyrrol-2-yl]methylidene]-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;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-(4,4-difluoropiperidin-1-yl)ethyl]-2,4-dimethyl-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-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide.

Molecular Properties

• Compound Name: (5Z)-2-amino-4-chloro-5-[[4-[2-(3,3-difluoropyrrolidin-1-yl)acetyl]-1H-pyrrol-2-yl]methylidene]-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;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-(4,4-difluoropiperidin-1-yl)ethyl]-2,4-dimethyl-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-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
• PubChem CID: 158980369
• Molecular Formula: C85H96Cl3F4N23O11S
• Molecular Weight: 1830.27 g/mol
• Exact Mass: 1827.64
• IUPAC Name: (5Z)-2-amino-4-chloro-5-[[4-[2-(3,3-difluoropyrrolidin-1-yl)acetyl]-1H-pyrrol-2-yl]methylidene]-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;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-(4,4-difluoropiperidin-1-yl)ethyl]-2,4-dimethyl-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-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
• SMILES: COc1c(C)cnc(CN2C(=O)/C(=C\c3[nH]c(C)c(C(=O)NCCN4CCC(F)(F)CC4)c3C)c3c(Cl)nc(N)nc32)c1C.COc1c(C)cnc(CN2C(=O)/C(=C\c3[nH]c(C)c(C(=O)NCCN4CCS(=O)(=O)CC4)c3C)c3c(Cl)nc(N)nc32)c1C.COc1c(C)cnc(CN2C(=O)/C(=C\c3cc(C(=O)CN4CCC(F)(F)C4)c[nH]3)c3c(Cl)nc(N)nc32)c1C
• InChI: InChI=1S/C30H35ClF2N8O3.C29H35ClN8O5S.C26H26ClF2N7O3/c1-15-13-36-21(17(3)24(15)44-5)14-41-26-23(25(31)38-29(34)39-26)19(28(41)43)12-20-16(2)22(18(4)37-20)27(42)35-8-11-40-9-6-30(32,33)7-10-40;1-15-13-33-21(17(3)24(15)43-5)14-38-26-23(25(30)35-29(31)36-26)19(28(38)40)12-20-16(2)22(18(4)34-20)27(39)32-6-7-37-8-10-44(41,42)11-9-37;1-13-8-32-18(14(2)21(13)39-3)10-36-23-20(22(27)33-25(30)34-23)17(24(36)38)7-16-6-15(9-31-16)19(37)11-35-5-4-26(28,29)12-35/h12-13,37H,6-11,14H2,1-5H3,(H,35,42)(H2,34,38,39);12-13,34H,6-11,14H2,1-5H3,(H,32,39)(H2,31,35,36);6-9,31H,4-5,10-12H2,1-3H3,(H2,30,33,34)/b2*19-12-;17-7-
• InChIKey: JOXNVLRTASKYMA-DYMHGDDCSA-N
• XLogP: 10.12
• TPSA: 449.19 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 26
• Rotatable Bonds: 23
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1830.27
LogP ≤ 5	10.12
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	26

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-[[4-[2-(3,3-difluoropyrrolidin-1-yl)acetyl]-1H-pyrrol-2-yl]methylidene]-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;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-(4,4-difluoropiperidin-1-yl)ethyl]-2,4-dimethyl-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-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide?

The IUPAC name of (5Z)-2-amino-4-chloro-5-[[4-[2-(3,3-difluoropyrrolidin-1-yl)acetyl]-1H-pyrrol-2-yl]methylidene]-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;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-(4,4-difluoropiperidin-1-yl)ethyl]-2,4-dimethyl-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-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide (CID 158980369) is (5Z)-2-amino-4-chloro-5-[[4-[2-(3,3-difluoropyrrolidin-1-yl)acetyl]-1H-pyrrol-2-yl]methylidene]-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;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-(4,4-difluoropiperidin-1-yl)ethyl]-2,4-dimethyl-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-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide.

What is the SMILES notation for (5Z)-2-amino-4-chloro-5-[[4-[2-(3,3-difluoropyrrolidin-1-yl)acetyl]-1H-pyrrol-2-yl]methylidene]-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;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-(4,4-difluoropiperidin-1-yl)ethyl]-2,4-dimethyl-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-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide?

The canonical SMILES for (5Z)-2-amino-4-chloro-5-[[4-[2-(3,3-difluoropyrrolidin-1-yl)acetyl]-1H-pyrrol-2-yl]methylidene]-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;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-(4,4-difluoropiperidin-1-yl)ethyl]-2,4-dimethyl-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-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide is COc1c(C)cnc(CN2C(=O)/C(=C\c3[nH]c(C)c(C(=O)NCCN4CCC(F)(F)CC4)c3C)c3c(Cl)nc(N)nc32)c1C.COc1c(C)cnc(CN2C(=O)/C(=C\c3[nH]c(C)c(C(=O)NCCN4CCS(=O)(=O)CC4)c3C)c3c(Cl)nc(N)nc32)c1C.COc1c(C)cnc(CN2C(=O)/C(=C\c3cc(C(=O)CN4CCC(F)(F)C4)c[nH]3)c3c(Cl)nc(N)nc32)c1C.

What is the InChIKey of (5Z)-2-amino-4-chloro-5-[[4-[2-(3,3-difluoropyrrolidin-1-yl)acetyl]-1H-pyrrol-2-yl]methylidene]-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;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-(4,4-difluoropiperidin-1-yl)ethyl]-2,4-dimethyl-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-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide?

The InChIKey is JOXNVLRTASKYMA-DYMHGDDCSA-N. The full InChI is InChI=1S/C30H35ClF2N8O3.C29H35ClN8O5S.C26H26ClF2N7O3/c1-15-13-36-21(17(3)24(15)44-5)14-41-26-23(25(31)38-29(34)39-26)19(28(41)43)12-20-16(2)22(18(4)37-20)27(42)35-8-11-40-9-6-30(32,33)7-10-40;1-15-13-33-21(17(3)24(15)43-5)14-38-26-23(25(30)35-29(31)36-26)19(28(38)40)12-20-16(2)22(18(4)34-20)27(39)32-6-7-37-8-10-44(41,42)11-9-37;1-13-8-32-18(14(2)21(13)39-3)10-36-23-20(22(27)33-25(30)34-23)17(24(36)38)7-16-6-15(9-31-16)19(37)11-35-5-4-26(28,29)12-35/h12-13,37H,6-11,14H2,1-5H3,(H,35,42)(H2,34,38,39);12-13,34H,6-11,14H2,1-5H3,(H,32,39)(H2,31,35,36);6-9,31H,4-5,10-12H2,1-3H3,(H2,30,33,34)/b2*19-12-;17-7-.

What are the key properties of (5Z)-2-amino-4-chloro-5-[[4-[2-(3,3-difluoropyrrolidin-1-yl)acetyl]-1H-pyrrol-2-yl]methylidene]-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;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-(4,4-difluoropiperidin-1-yl)ethyl]-2,4-dimethyl-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-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide?

(5Z)-2-amino-4-chloro-5-[[4-[2-(3,3-difluoropyrrolidin-1-yl)acetyl]-1H-pyrrol-2-yl]methylidene]-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;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-(4,4-difluoropiperidin-1-yl)ethyl]-2,4-dimethyl-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-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide has a molecular weight of 1830.27 g/mol, XLogP of 10.12, 23 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-2-amino-4-chloro-5-[[4-[2-(3,3-difluoropyrrolidin-1-yl)acetyl]-1H-pyrrol-2-yl]methylidene]-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;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-(4,4-difluoropiperidin-1-yl)ethyl]-2,4-dimethyl-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-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 158980369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).