(5Z)-2-amino-4-chloro-5-[[5-[[(4-hydroxycyclohexyl)amino]methyl]-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-5-[[5-[(4-hydroxypiperidin-1-yl)methyl]-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-methylpropylamino)methyl]-1H-imidazol-2-yl]methylidene]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-[[5-(morpholin-4-ylmethyl)-1H-imidazol-2-yl]methylidene]pyrrolo[2,3-d]pyrimidin-6-one

C99H116Cl4N32O11 — CID 159880374

About (5Z)-2-amino-4-chloro-5-[[5-[[(4-hydroxycyclohexyl)amino]methyl]-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-5-[[5-[(4-hydroxypiperidin-1-yl)methyl]-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-methylpropylamino)methyl]-1H-imidazol-2-yl]methylidene]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-[[5-(morpholin-4-ylmethyl)-1H-imidazol-2-yl]methylidene]pyrrolo[2,3-d]pyrimidin-6-one

(5Z)-2-amino-4-chloro-5-[[5-[[(4-hydroxycyclohexyl)amino]methyl]-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-5-[[5-[(4-hydroxypiperidin-1-yl)methyl]-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-methylpropylamino)methyl]-1H-imidazol-2-yl]methylidene]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-[[5-(morpholin-4-ylmethyl)-1H-imidazol-2-yl]methylidene]pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 159880374) has the molecular formula C99H116Cl4N32O11 and a molecular weight of 2072.04 g/mol. Its IUPAC name is (5Z)-2-amino-4-chloro-5-[[5-[[(4-hydroxycyclohexyl)amino]methyl]-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-5-[[5-[(4-hydroxypiperidin-1-yl)methyl]-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-methylpropylamino)methyl]-1H-imidazol-2-yl]methylidene]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-[[5-(morpholin-4-ylmethyl)-1H-imidazol-2-yl]methylidene]pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

• Compound Name: (5Z)-2-amino-4-chloro-5-[[5-[[(4-hydroxycyclohexyl)amino]methyl]-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-5-[[5-[(4-hydroxypiperidin-1-yl)methyl]-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-methylpropylamino)methyl]-1H-imidazol-2-yl]methylidene]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-[[5-(morpholin-4-ylmethyl)-1H-imidazol-2-yl]methylidene]pyrrolo[2,3-d]pyrimidin-6-one
• PubChem CID: 159880374
• Molecular Formula: C99H116Cl4N32O11
• Molecular Weight: 2072.04 g/mol
• Exact Mass: 2068.83
• IUPAC Name: (5Z)-2-amino-4-chloro-5-[[5-[[(4-hydroxycyclohexyl)amino]methyl]-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-5-[[5-[(4-hydroxypiperidin-1-yl)methyl]-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-methylpropylamino)methyl]-1H-imidazol-2-yl]methylidene]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-[[5-(morpholin-4-ylmethyl)-1H-imidazol-2-yl]methylidene]pyrrolo[2,3-d]pyrimidin-6-one
• SMILES: COc1c(C)cnc(CN2C(=O)/C(=C\c3ncc(CN4CCC(O)CC4)[nH]3)c3c(Cl)nc(N)nc32)c1C.COc1c(C)cnc(CN2C(=O)/C(=C\c3ncc(CN4CCOCC4)[nH]3)c3c(Cl)nc(N)nc32)c1C.COc1c(C)cnc(CN2C(=O)/C(=C\c3ncc(CNC4CCC(O)CC4)[nH]3)c3c(Cl)nc(N)nc32)c1C.COc1c(C)cnc(CN2C(=O)/C(=C\c3ncc(CNCC(C)C)[nH]3)c3c(Cl)nc(N)nc32)c1C
• InChI: InChI=1S/C26H31ClN8O3.C25H29ClN8O3.C24H27ClN8O3.C24H29ClN8O2/c1-13-9-30-19(14(2)22(13)38-3)12-35-24-21(23(27)33-26(28)34-24)18(25(35)37)8-20-31-11-16(32-20)10-29-15-4-6-17(36)7-5-15;1-13-9-28-18(14(2)21(13)37-3)12-34-23-20(22(26)31-25(27)32-23)17(24(34)36)8-19-29-10-15(30-19)11-33-6-4-16(35)5-7-33;1-13-9-27-17(14(2)20(13)35-3)12-33-22-19(21(25)30-24(26)31-22)16(23(33)34)8-18-28-10-15(29-18)11-32-4-6-36-7-5-32;1-12(2)7-27-9-15-10-29-18(30-15)6-16-19-21(25)31-24(26)32-22(19)33(23(16)34)11-17-14(4)20(35-5)13(3)8-28-17/h8-9,11,15,17,29,36H,4-7,10,12H2,1-3H3,(H,31,32)(H2,28,33,34);8-10,16,35H,4-7,11-12H2,1-3H3,(H,29,30)(H2,27,31,32);8-10H,4-7,11-12H2,1-3H3,(H,28,29)(H2,26,30,31);6,8,10,12,27H,7,9,11H2,1-5H3,(H,29,30)(H2,26,31,32)/b18-8-;17-8-;16-8-;16-6-
• InChIKey: NTLHDCOSPLYRKE-WMHRZRBLSA-N
• XLogP: 11.10
• TPSA: 571.87 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 35
• Rotatable Bonds: 27
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2072.04
LogP ≤ 5	11.10
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	35

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-hydroxycyclohexyl)amino]methyl]-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-5-[[5-[(4-hydroxypiperidin-1-yl)methyl]-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-methylpropylamino)methyl]-1H-imidazol-2-yl]methylidene]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-[[5-(morpholin-4-ylmethyl)-1H-imidazol-2-yl]methylidene]pyrrolo[2,3-d]pyrimidin-6-one?

The IUPAC name of (5Z)-2-amino-4-chloro-5-[[5-[[(4-hydroxycyclohexyl)amino]methyl]-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-5-[[5-[(4-hydroxypiperidin-1-yl)methyl]-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-methylpropylamino)methyl]-1H-imidazol-2-yl]methylidene]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-[[5-(morpholin-4-ylmethyl)-1H-imidazol-2-yl]methylidene]pyrrolo[2,3-d]pyrimidin-6-one (CID 159880374) is (5Z)-2-amino-4-chloro-5-[[5-[[(4-hydroxycyclohexyl)amino]methyl]-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-5-[[5-[(4-hydroxypiperidin-1-yl)methyl]-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-methylpropylamino)methyl]-1H-imidazol-2-yl]methylidene]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-[[5-(morpholin-4-ylmethyl)-1H-imidazol-2-yl]methylidene]pyrrolo[2,3-d]pyrimidin-6-one.

What is the SMILES notation for (5Z)-2-amino-4-chloro-5-[[5-[[(4-hydroxycyclohexyl)amino]methyl]-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-5-[[5-[(4-hydroxypiperidin-1-yl)methyl]-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-methylpropylamino)methyl]-1H-imidazol-2-yl]methylidene]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-[[5-(morpholin-4-ylmethyl)-1H-imidazol-2-yl]methylidene]pyrrolo[2,3-d]pyrimidin-6-one?

The canonical SMILES for (5Z)-2-amino-4-chloro-5-[[5-[[(4-hydroxycyclohexyl)amino]methyl]-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-5-[[5-[(4-hydroxypiperidin-1-yl)methyl]-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-methylpropylamino)methyl]-1H-imidazol-2-yl]methylidene]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-[[5-(morpholin-4-ylmethyl)-1H-imidazol-2-yl]methylidene]pyrrolo[2,3-d]pyrimidin-6-one is COc1c(C)cnc(CN2C(=O)/C(=C\c3ncc(CN4CCC(O)CC4)[nH]3)c3c(Cl)nc(N)nc32)c1C.COc1c(C)cnc(CN2C(=O)/C(=C\c3ncc(CN4CCOCC4)[nH]3)c3c(Cl)nc(N)nc32)c1C.COc1c(C)cnc(CN2C(=O)/C(=C\c3ncc(CNC4CCC(O)CC4)[nH]3)c3c(Cl)nc(N)nc32)c1C.COc1c(C)cnc(CN2C(=O)/C(=C\c3ncc(CNCC(C)C)[nH]3)c3c(Cl)nc(N)nc32)c1C.

What is the InChIKey of (5Z)-2-amino-4-chloro-5-[[5-[[(4-hydroxycyclohexyl)amino]methyl]-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-5-[[5-[(4-hydroxypiperidin-1-yl)methyl]-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-methylpropylamino)methyl]-1H-imidazol-2-yl]methylidene]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-[[5-(morpholin-4-ylmethyl)-1H-imidazol-2-yl]methylidene]pyrrolo[2,3-d]pyrimidin-6-one?

The InChIKey is NTLHDCOSPLYRKE-WMHRZRBLSA-N. The full InChI is InChI=1S/C26H31ClN8O3.C25H29ClN8O3.C24H27ClN8O3.C24H29ClN8O2/c1-13-9-30-19(14(2)22(13)38-3)12-35-24-21(23(27)33-26(28)34-24)18(25(35)37)8-20-31-11-16(32-20)10-29-15-4-6-17(36)7-5-15;1-13-9-28-18(14(2)21(13)37-3)12-34-23-20(22(26)31-25(27)32-23)17(24(34)36)8-19-29-10-15(30-19)11-33-6-4-16(35)5-7-33;1-13-9-27-17(14(2)20(13)35-3)12-33-22-19(21(25)30-24(26)31-22)16(23(33)34)8-18-28-10-15(29-18)11-32-4-6-36-7-5-32;1-12(2)7-27-9-15-10-29-18(30-15)6-16-19-21(25)31-24(26)32-22(19)33(23(16)34)11-17-14(4)20(35-5)13(3)8-28-17/h8-9,11,15,17,29,36H,4-7,10,12H2,1-3H3,(H,31,32)(H2,28,33,34);8-10,16,35H,4-7,11-12H2,1-3H3,(H,29,30)(H2,27,31,32);8-10H,4-7,11-12H2,1-3H3,(H,28,29)(H2,26,30,31);6,8,10,12,27H,7,9,11H2,1-5H3,(H,29,30)(H2,26,31,32)/b18-8-;17-8-;16-8-;16-6-.

What are the key properties of (5Z)-2-amino-4-chloro-5-[[5-[[(4-hydroxycyclohexyl)amino]methyl]-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-5-[[5-[(4-hydroxypiperidin-1-yl)methyl]-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-methylpropylamino)methyl]-1H-imidazol-2-yl]methylidene]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-[[5-(morpholin-4-ylmethyl)-1H-imidazol-2-yl]methylidene]pyrrolo[2,3-d]pyrimidin-6-one?

(5Z)-2-amino-4-chloro-5-[[5-[[(4-hydroxycyclohexyl)amino]methyl]-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-5-[[5-[(4-hydroxypiperidin-1-yl)methyl]-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-methylpropylamino)methyl]-1H-imidazol-2-yl]methylidene]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-[[5-(morpholin-4-ylmethyl)-1H-imidazol-2-yl]methylidene]pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 2072.04 g/mol, XLogP of 11.10, 27 rotatable bonds, 12 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-2-amino-4-chloro-5-[[5-[[(4-hydroxycyclohexyl)amino]methyl]-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-5-[[5-[(4-hydroxypiperidin-1-yl)methyl]-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-methylpropylamino)methyl]-1H-imidazol-2-yl]methylidene]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-[[5-(morpholin-4-ylmethyl)-1H-imidazol-2-yl]methylidene]pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 159880374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).