(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-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-[[5-[2-(oxan-4-yl)ethyl]-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-[(propan-2-ylamino)methyl]-1H-imidazol-2-yl]methylidene]pyrrolo[2,3-d]pyrimidin-6-one

C97H113Cl4N31O10 — CID 123809670

About (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-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-[[5-[2-(oxan-4-yl)ethyl]-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-[(propan-2-ylamino)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-[(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-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-[[5-[2-(oxan-4-yl)ethyl]-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-[(propan-2-ylamino)methyl]-1H-imidazol-2-yl]methylidene]pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 123809670) has the molecular formula C97H113Cl4N31O10 and a molecular weight of 2014.99 g/mol. Its IUPAC name is (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-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-[[5-[2-(oxan-4-yl)ethyl]-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-[(propan-2-ylamino)methyl]-1H-imidazol-2-yl]methylidene]pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

• Compound Name: (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-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-[[5-[2-(oxan-4-yl)ethyl]-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-[(propan-2-ylamino)methyl]-1H-imidazol-2-yl]methylidene]pyrrolo[2,3-d]pyrimidin-6-one
• PubChem CID: 123809670
• Molecular Formula: C97H113Cl4N31O10
• Molecular Weight: 2014.99 g/mol
• Exact Mass: 2011.80
• IUPAC Name: (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-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-[[5-[2-(oxan-4-yl)ethyl]-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-[(propan-2-ylamino)methyl]-1H-imidazol-2-yl]methylidene]pyrrolo[2,3-d]pyrimidin-6-one
• SMILES: COc1c(C)cnc(CN2C(=O)/C(=C\c3ncc(CCC4CCOCC4)[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(CNC(C)C)[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/C26H30ClN7O3.C24H27ClN8O3.C24H29ClN8O2.C23H27ClN8O2/c1-14-11-29-19(15(2)22(14)36-3)13-34-24-21(23(27)32-26(28)33-24)18(25(34)35)10-20-30-12-17(31-20)5-4-16-6-8-37-9-7-16;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;1-11(2)26-8-14-9-28-17(29-14)6-15-18-20(24)30-23(25)31-21(18)32(22(15)33)10-16-13(4)19(34-5)12(3)7-27-16/h10-12,16H,4-9,13H2,1-3H3,(H,30,31)(H2,28,32,33);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);6-7,9,11,26H,8,10H2,1-5H3,(H,28,29)(H2,25,30,31)/b18-10-;16-8-;16-6-;15-6-
• InChIKey: NLHJVJDOZSIPIL-GANVDAGYSA-N
• XLogP: 12.61
• TPSA: 537.40 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 33
• Rotatable Bonds: 28
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2014.99
LogP ≤ 5	12.61
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	33

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-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-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-[[5-[2-(oxan-4-yl)ethyl]-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-[(propan-2-ylamino)methyl]-1H-imidazol-2-yl]methylidene]pyrrolo[2,3-d]pyrimidin-6-one?

The IUPAC name of (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-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-[[5-[2-(oxan-4-yl)ethyl]-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-[(propan-2-ylamino)methyl]-1H-imidazol-2-yl]methylidene]pyrrolo[2,3-d]pyrimidin-6-one (CID 123809670) is (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-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-[[5-[2-(oxan-4-yl)ethyl]-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-[(propan-2-ylamino)methyl]-1H-imidazol-2-yl]methylidene]pyrrolo[2,3-d]pyrimidin-6-one.

What is the SMILES notation for (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-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-[[5-[2-(oxan-4-yl)ethyl]-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-[(propan-2-ylamino)methyl]-1H-imidazol-2-yl]methylidene]pyrrolo[2,3-d]pyrimidin-6-one?

The canonical SMILES for (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-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-[[5-[2-(oxan-4-yl)ethyl]-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-[(propan-2-ylamino)methyl]-1H-imidazol-2-yl]methylidene]pyrrolo[2,3-d]pyrimidin-6-one is COc1c(C)cnc(CN2C(=O)/C(=C\c3ncc(CCC4CCOCC4)[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(CNC(C)C)[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-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-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-[[5-[2-(oxan-4-yl)ethyl]-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-[(propan-2-ylamino)methyl]-1H-imidazol-2-yl]methylidene]pyrrolo[2,3-d]pyrimidin-6-one?

The InChIKey is NLHJVJDOZSIPIL-GANVDAGYSA-N. The full InChI is InChI=1S/C26H30ClN7O3.C24H27ClN8O3.C24H29ClN8O2.C23H27ClN8O2/c1-14-11-29-19(15(2)22(14)36-3)13-34-24-21(23(27)32-26(28)33-24)18(25(34)35)10-20-30-12-17(31-20)5-4-16-6-8-37-9-7-16;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;1-11(2)26-8-14-9-28-17(29-14)6-15-18-20(24)30-23(25)31-21(18)32(22(15)33)10-16-13(4)19(34-5)12(3)7-27-16/h10-12,16H,4-9,13H2,1-3H3,(H,30,31)(H2,28,32,33);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);6-7,9,11,26H,8,10H2,1-5H3,(H,28,29)(H2,25,30,31)/b18-10-;16-8-;16-6-;15-6-.

What are the key properties of (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-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-[[5-[2-(oxan-4-yl)ethyl]-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-[(propan-2-ylamino)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-[(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-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-[[5-[2-(oxan-4-yl)ethyl]-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-[(propan-2-ylamino)methyl]-1H-imidazol-2-yl]methylidene]pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 2014.99 g/mol, XLogP of 12.61, 28 rotatable bonds, 10 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for (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-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-[[5-[2-(oxan-4-yl)ethyl]-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-[(propan-2-ylamino)methyl]-1H-imidazol-2-yl]methylidene]pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 123809670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).