(5Z)-2-amino-4-chloro-5-[(4-chloro-1H-pyrazol-5-yl)methylidene]-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-[[4-[4-(2-hydroxyethyl)piperidine-1-carbonyl]-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-[[4-(4-hydroxypiperidine-1-carbonyl)-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]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid

C96H100Cl5N27O14 — CID 157429865

About (5Z)-2-amino-4-chloro-5-[(4-chloro-1H-pyrazol-5-yl)methylidene]-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-[[4-[4-(2-hydroxyethyl)piperidine-1-carbonyl]-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-[[4-(4-hydroxypiperidine-1-carbonyl)-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]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid

(5Z)-2-amino-4-chloro-5-[(4-chloro-1H-pyrazol-5-yl)methylidene]-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-[[4-[4-(2-hydroxyethyl)piperidine-1-carbonyl]-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-[[4-(4-hydroxypiperidine-1-carbonyl)-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]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid (PubChem CID 157429865) has the molecular formula C96H100Cl5N27O14 and a molecular weight of 2033.30 g/mol. Its IUPAC name is (5Z)-2-amino-4-chloro-5-[(4-chloro-1H-pyrazol-5-yl)methylidene]-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-[[4-[4-(2-hydroxyethyl)piperidine-1-carbonyl]-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-[[4-(4-hydroxypiperidine-1-carbonyl)-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]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid.

Molecular Properties

• Compound Name: (5Z)-2-amino-4-chloro-5-[(4-chloro-1H-pyrazol-5-yl)methylidene]-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-[[4-[4-(2-hydroxyethyl)piperidine-1-carbonyl]-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-[[4-(4-hydroxypiperidine-1-carbonyl)-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]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid
• PubChem CID: 157429865
• Molecular Formula: C96H100Cl5N27O14
• Molecular Weight: 2033.30 g/mol
• Exact Mass: 2029.64
• IUPAC Name: (5Z)-2-amino-4-chloro-5-[(4-chloro-1H-pyrazol-5-yl)methylidene]-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-[[4-[4-(2-hydroxyethyl)piperidine-1-carbonyl]-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-[[4-(4-hydroxypiperidine-1-carbonyl)-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]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid
• SMILES: COc1c(C)cnc(CN2C(=O)/C(=C\c3[nH]c(C)c(C(=O)O)c3C)c3c(Cl)nc(N)nc32)c1C.COc1c(C)cnc(CN2C(=O)/C(=C\c3[nH]ncc3Cl)c3c(Cl)nc(N)nc32)c1C.COc1c(C)cnc(CN2C(=O)/C(=C\c3cc(C(=O)N4CCC(CCO)CC4)c[nH]3)c3c(Cl)nc(N)nc32)c1C.COc1c(C)cnc(CN2C(=O)/C(=C\c3cc(C(=O)N4CCC(O)CC4)c[nH]3)c3c(Cl)nc(N)nc32)c1C
• InChI: InChI=1S/C28H32ClN7O4.C26H28ClN7O4.C23H23ClN6O4.C19H17Cl2N7O2/c1-15-12-32-21(16(2)23(15)40-3)14-36-25-22(24(29)33-28(30)34-25)20(27(36)39)11-19-10-18(13-31-19)26(38)35-7-4-17(5-8-35)6-9-37;1-13-10-30-19(14(2)21(13)38-3)12-34-23-20(22(27)31-26(28)32-23)18(25(34)37)9-16-8-15(11-29-16)24(36)33-6-4-17(35)5-7-33;1-9-7-26-15(11(3)18(9)34-5)8-30-20-17(19(24)28-23(25)29-20)13(21(30)31)6-14-10(2)16(22(32)33)12(4)27-14;1-8-5-23-13(9(2)15(8)30-3)7-28-17-14(16(21)25-19(22)26-17)10(18(28)29)4-12-11(20)6-24-27-12/h10-13,17,31,37H,4-9,14H2,1-3H3,(H2,30,33,34);8-11,17,29,35H,4-7,12H2,1-3H3,(H2,28,31,32);6-7,27H,8H2,1-5H3,(H,32,33)(H2,25,28,29);4-6H,7H2,1-3H3,(H,24,27)(H2,22,25,26)/b20-11-;18-9-;13-6-;10-4-
• InChIKey: BQKAZCRHFNVDQT-SKGLPHNASA-N
• XLogP: 12.79
• TPSA: 571.35 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 30
• Rotatable Bonds: 21
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2033.30
LogP ≤ 5	12.79
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	30

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-chloro-1H-pyrazol-5-yl)methylidene]-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-[[4-[4-(2-hydroxyethyl)piperidine-1-carbonyl]-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-[[4-(4-hydroxypiperidine-1-carbonyl)-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]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid?

The IUPAC name of (5Z)-2-amino-4-chloro-5-[(4-chloro-1H-pyrazol-5-yl)methylidene]-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-[[4-[4-(2-hydroxyethyl)piperidine-1-carbonyl]-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-[[4-(4-hydroxypiperidine-1-carbonyl)-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]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid (CID 157429865) is (5Z)-2-amino-4-chloro-5-[(4-chloro-1H-pyrazol-5-yl)methylidene]-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-[[4-[4-(2-hydroxyethyl)piperidine-1-carbonyl]-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-[[4-(4-hydroxypiperidine-1-carbonyl)-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]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid.

What is the SMILES notation for (5Z)-2-amino-4-chloro-5-[(4-chloro-1H-pyrazol-5-yl)methylidene]-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-[[4-[4-(2-hydroxyethyl)piperidine-1-carbonyl]-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-[[4-(4-hydroxypiperidine-1-carbonyl)-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]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid?

The canonical SMILES for (5Z)-2-amino-4-chloro-5-[(4-chloro-1H-pyrazol-5-yl)methylidene]-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-[[4-[4-(2-hydroxyethyl)piperidine-1-carbonyl]-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-[[4-(4-hydroxypiperidine-1-carbonyl)-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]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid is COc1c(C)cnc(CN2C(=O)/C(=C\c3[nH]c(C)c(C(=O)O)c3C)c3c(Cl)nc(N)nc32)c1C.COc1c(C)cnc(CN2C(=O)/C(=C\c3[nH]ncc3Cl)c3c(Cl)nc(N)nc32)c1C.COc1c(C)cnc(CN2C(=O)/C(=C\c3cc(C(=O)N4CCC(CCO)CC4)c[nH]3)c3c(Cl)nc(N)nc32)c1C.COc1c(C)cnc(CN2C(=O)/C(=C\c3cc(C(=O)N4CCC(O)CC4)c[nH]3)c3c(Cl)nc(N)nc32)c1C.

What is the InChIKey of (5Z)-2-amino-4-chloro-5-[(4-chloro-1H-pyrazol-5-yl)methylidene]-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-[[4-[4-(2-hydroxyethyl)piperidine-1-carbonyl]-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-[[4-(4-hydroxypiperidine-1-carbonyl)-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]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid?

The InChIKey is BQKAZCRHFNVDQT-SKGLPHNASA-N. The full InChI is InChI=1S/C28H32ClN7O4.C26H28ClN7O4.C23H23ClN6O4.C19H17Cl2N7O2/c1-15-12-32-21(16(2)23(15)40-3)14-36-25-22(24(29)33-28(30)34-25)20(27(36)39)11-19-10-18(13-31-19)26(38)35-7-4-17(5-8-35)6-9-37;1-13-10-30-19(14(2)21(13)38-3)12-34-23-20(22(27)31-26(28)32-23)18(25(34)37)9-16-8-15(11-29-16)24(36)33-6-4-17(35)5-7-33;1-9-7-26-15(11(3)18(9)34-5)8-30-20-17(19(24)28-23(25)29-20)13(21(30)31)6-14-10(2)16(22(32)33)12(4)27-14;1-8-5-23-13(9(2)15(8)30-3)7-28-17-14(16(21)25-19(22)26-17)10(18(28)29)4-12-11(20)6-24-27-12/h10-13,17,31,37H,4-9,14H2,1-3H3,(H2,30,33,34);8-11,17,29,35H,4-7,12H2,1-3H3,(H2,28,31,32);6-7,27H,8H2,1-5H3,(H,32,33)(H2,25,28,29);4-6H,7H2,1-3H3,(H,24,27)(H2,22,25,26)/b20-11-;18-9-;13-6-;10-4-.

What are the key properties of (5Z)-2-amino-4-chloro-5-[(4-chloro-1H-pyrazol-5-yl)methylidene]-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-[[4-[4-(2-hydroxyethyl)piperidine-1-carbonyl]-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-[[4-(4-hydroxypiperidine-1-carbonyl)-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]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid?

(5Z)-2-amino-4-chloro-5-[(4-chloro-1H-pyrazol-5-yl)methylidene]-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-[[4-[4-(2-hydroxyethyl)piperidine-1-carbonyl]-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-[[4-(4-hydroxypiperidine-1-carbonyl)-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]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid has a molecular weight of 2033.30 g/mol, XLogP of 12.79, 21 rotatable bonds, 11 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-2-amino-4-chloro-5-[(4-chloro-1H-pyrazol-5-yl)methylidene]-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-[[4-[4-(2-hydroxyethyl)piperidine-1-carbonyl]-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-[[4-(4-hydroxypiperidine-1-carbonyl)-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]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid is sourced from PubChem (CID 157429865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).