(5Z)-2-amino-4-chloro-5-[[5-(2-cyclopentyl-2-oxoethyl)-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-[[1-(methoxymethyl)-4-(3-methyl-2-oxobutyl)imidazol-2-yl]methylidene]pyrrolo[2,3-d]pyrimidin-6-one;3-[5-[(Z)-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-1H-pyrrol-2-yl]-N,N-diethylpropanamide

C79H90Cl3N21O10 — CID 123174849

About (5Z)-2-amino-4-chloro-5-[[5-(2-cyclopentyl-2-oxoethyl)-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-[[1-(methoxymethyl)-4-(3-methyl-2-oxobutyl)imidazol-2-yl]methylidene]pyrrolo[2,3-d]pyrimidin-6-one;3-[5-[(Z)-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-1H-pyrrol-2-yl]-N,N-diethylpropanamide

(5Z)-2-amino-4-chloro-5-[[5-(2-cyclopentyl-2-oxoethyl)-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-[[1-(methoxymethyl)-4-(3-methyl-2-oxobutyl)imidazol-2-yl]methylidene]pyrrolo[2,3-d]pyrimidin-6-one;3-[5-[(Z)-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-1H-pyrrol-2-yl]-N,N-diethylpropanamide (PubChem CID 123174849) has the molecular formula C79H90Cl3N21O10 and a molecular weight of 1600.08 g/mol. Its IUPAC name is (5Z)-2-amino-4-chloro-5-[[5-(2-cyclopentyl-2-oxoethyl)-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-[[1-(methoxymethyl)-4-(3-methyl-2-oxobutyl)imidazol-2-yl]methylidene]pyrrolo[2,3-d]pyrimidin-6-one;3-[5-[(Z)-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-1H-pyrrol-2-yl]-N,N-diethylpropanamide.

Molecular Properties

• Compound Name: (5Z)-2-amino-4-chloro-5-[[5-(2-cyclopentyl-2-oxoethyl)-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-[[1-(methoxymethyl)-4-(3-methyl-2-oxobutyl)imidazol-2-yl]methylidene]pyrrolo[2,3-d]pyrimidin-6-one;3-[5-[(Z)-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-1H-pyrrol-2-yl]-N,N-diethylpropanamide
• PubChem CID: 123174849
• Molecular Formula: C79H90Cl3N21O10
• Molecular Weight: 1600.08 g/mol
• Exact Mass: 1597.62
• IUPAC Name: (5Z)-2-amino-4-chloro-5-[[5-(2-cyclopentyl-2-oxoethyl)-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-[[1-(methoxymethyl)-4-(3-methyl-2-oxobutyl)imidazol-2-yl]methylidene]pyrrolo[2,3-d]pyrimidin-6-one;3-[5-[(Z)-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-1H-pyrrol-2-yl]-N,N-diethylpropanamide
• SMILES: CCN(CC)C(=O)CCc1ccc(/C=C2\C(=O)N(Cc3ncc(C)c(OC)c3C)c3nc(N)nc(Cl)c32)[nH]1.COCn1cc(CC(=O)C(C)C)nc1/C=C1\C(=O)N(Cc2ncc(C)c(OC)c2C)c2nc(N)nc(Cl)c21.COc1c(C)cnc(CN2C(=O)/C(=C\c3ncc(CC(=O)C4CCCC4)[nH]3)c3c(Cl)nc(N)nc32)c1C
• InChI: InChI=1S/C27H32ClN7O3.C26H30ClN7O4.C26H28ClN7O3/c1-6-34(7-2)21(36)11-10-17-8-9-18(31-17)12-19-22-24(28)32-27(29)33-25(22)35(26(19)37)14-20-16(4)23(38-5)15(3)13-30-20;1-13(2)19(35)7-16-10-33(12-37-5)20(30-16)8-17-21-23(27)31-26(28)32-24(21)34(25(17)36)11-18-15(4)22(38-6)14(3)9-29-18;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)15-6-4-5-7-15/h8-9,12-13,31H,6-7,10-11,14H2,1-5H3,(H2,29,32,33);8-10,13H,7,11-12H2,1-6H3,(H2,28,31,32);9-11,15H,4-8,12H2,1-3H3,(H,30,31)(H2,28,32,33)/b19-12-;17-8-;17-9-
• InChIKey: NQCIPCZNGYPWQB-MCXGZIIESA-N
• XLogP: 11.18
• TPSA: 408.66 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 25
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1600.08
LogP ≤ 5	11.18
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', '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-[[5-(2-cyclopentyl-2-oxoethyl)-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-[[1-(methoxymethyl)-4-(3-methyl-2-oxobutyl)imidazol-2-yl]methylidene]pyrrolo[2,3-d]pyrimidin-6-one;3-[5-[(Z)-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-1H-pyrrol-2-yl]-N,N-diethylpropanamide?

The IUPAC name of (5Z)-2-amino-4-chloro-5-[[5-(2-cyclopentyl-2-oxoethyl)-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-[[1-(methoxymethyl)-4-(3-methyl-2-oxobutyl)imidazol-2-yl]methylidene]pyrrolo[2,3-d]pyrimidin-6-one;3-[5-[(Z)-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-1H-pyrrol-2-yl]-N,N-diethylpropanamide (CID 123174849) is (5Z)-2-amino-4-chloro-5-[[5-(2-cyclopentyl-2-oxoethyl)-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-[[1-(methoxymethyl)-4-(3-methyl-2-oxobutyl)imidazol-2-yl]methylidene]pyrrolo[2,3-d]pyrimidin-6-one;3-[5-[(Z)-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-1H-pyrrol-2-yl]-N,N-diethylpropanamide.

What is the SMILES notation for (5Z)-2-amino-4-chloro-5-[[5-(2-cyclopentyl-2-oxoethyl)-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-[[1-(methoxymethyl)-4-(3-methyl-2-oxobutyl)imidazol-2-yl]methylidene]pyrrolo[2,3-d]pyrimidin-6-one;3-[5-[(Z)-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-1H-pyrrol-2-yl]-N,N-diethylpropanamide?

The canonical SMILES for (5Z)-2-amino-4-chloro-5-[[5-(2-cyclopentyl-2-oxoethyl)-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-[[1-(methoxymethyl)-4-(3-methyl-2-oxobutyl)imidazol-2-yl]methylidene]pyrrolo[2,3-d]pyrimidin-6-one;3-[5-[(Z)-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-1H-pyrrol-2-yl]-N,N-diethylpropanamide is CCN(CC)C(=O)CCc1ccc(/C=C2\C(=O)N(Cc3ncc(C)c(OC)c3C)c3nc(N)nc(Cl)c32)[nH]1.COCn1cc(CC(=O)C(C)C)nc1/C=C1\C(=O)N(Cc2ncc(C)c(OC)c2C)c2nc(N)nc(Cl)c21.COc1c(C)cnc(CN2C(=O)/C(=C\c3ncc(CC(=O)C4CCCC4)[nH]3)c3c(Cl)nc(N)nc32)c1C.

What is the InChIKey of (5Z)-2-amino-4-chloro-5-[[5-(2-cyclopentyl-2-oxoethyl)-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-[[1-(methoxymethyl)-4-(3-methyl-2-oxobutyl)imidazol-2-yl]methylidene]pyrrolo[2,3-d]pyrimidin-6-one;3-[5-[(Z)-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-1H-pyrrol-2-yl]-N,N-diethylpropanamide?

The InChIKey is NQCIPCZNGYPWQB-MCXGZIIESA-N. The full InChI is InChI=1S/C27H32ClN7O3.C26H30ClN7O4.C26H28ClN7O3/c1-6-34(7-2)21(36)11-10-17-8-9-18(31-17)12-19-22-24(28)32-27(29)33-25(22)35(26(19)37)14-20-16(4)23(38-5)15(3)13-30-20;1-13(2)19(35)7-16-10-33(12-37-5)20(30-16)8-17-21-23(27)31-26(28)32-24(21)34(25(17)36)11-18-15(4)22(38-6)14(3)9-29-18;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)15-6-4-5-7-15/h8-9,12-13,31H,6-7,10-11,14H2,1-5H3,(H2,29,32,33);8-10,13H,7,11-12H2,1-6H3,(H2,28,31,32);9-11,15H,4-8,12H2,1-3H3,(H,30,31)(H2,28,32,33)/b19-12-;17-8-;17-9-.

What are the key properties of (5Z)-2-amino-4-chloro-5-[[5-(2-cyclopentyl-2-oxoethyl)-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-[[1-(methoxymethyl)-4-(3-methyl-2-oxobutyl)imidazol-2-yl]methylidene]pyrrolo[2,3-d]pyrimidin-6-one;3-[5-[(Z)-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-1H-pyrrol-2-yl]-N,N-diethylpropanamide?

(5Z)-2-amino-4-chloro-5-[[5-(2-cyclopentyl-2-oxoethyl)-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-[[1-(methoxymethyl)-4-(3-methyl-2-oxobutyl)imidazol-2-yl]methylidene]pyrrolo[2,3-d]pyrimidin-6-one;3-[5-[(Z)-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-1H-pyrrol-2-yl]-N,N-diethylpropanamide has a molecular weight of 1600.08 g/mol, XLogP of 11.18, 25 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-2-amino-4-chloro-5-[[5-(2-cyclopentyl-2-oxoethyl)-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-[[1-(methoxymethyl)-4-(3-methyl-2-oxobutyl)imidazol-2-yl]methylidene]pyrrolo[2,3-d]pyrimidin-6-one;3-[5-[(Z)-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-1H-pyrrol-2-yl]-N,N-diethylpropanamide is sourced from PubChem (CID 123174849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).