(5Z)-2-amino-7-(1,3-benzothiazol-6-ylmethyl)-4-chloro-5-(1H-imidazol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-7-[(1,5-dimethylpyrazol-3-yl)methyl]-5-(1H-imidazol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-(1H-imidazol-2-ylmethylidene)-7-[(5-methylpyrazin-2-yl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-(1H-imidazol-2-ylmethylidene)-7-(oxan-4-ylmethyl)pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-7-(oxan-4-ylmethyl)-5-(1H-pyrrol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one

C83H75Cl5N34O7S — CID 161308082

About (5Z)-2-amino-7-(1,3-benzothiazol-6-ylmethyl)-4-chloro-5-(1H-imidazol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-7-[(1,5-dimethylpyrazol-3-yl)methyl]-5-(1H-imidazol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-(1H-imidazol-2-ylmethylidene)-7-[(5-methylpyrazin-2-yl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-(1H-imidazol-2-ylmethylidene)-7-(oxan-4-ylmethyl)pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-7-(oxan-4-ylmethyl)-5-(1H-pyrrol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one

(5Z)-2-amino-7-(1,3-benzothiazol-6-ylmethyl)-4-chloro-5-(1H-imidazol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-7-[(1,5-dimethylpyrazol-3-yl)methyl]-5-(1H-imidazol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-(1H-imidazol-2-ylmethylidene)-7-[(5-methylpyrazin-2-yl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-(1H-imidazol-2-ylmethylidene)-7-(oxan-4-ylmethyl)pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-7-(oxan-4-ylmethyl)-5-(1H-pyrrol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 161308082) has the molecular formula C83H75Cl5N34O7S and a molecular weight of 1870.08 g/mol. Its IUPAC name is (5Z)-2-amino-7-(1,3-benzothiazol-6-ylmethyl)-4-chloro-5-(1H-imidazol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-7-[(1,5-dimethylpyrazol-3-yl)methyl]-5-(1H-imidazol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-(1H-imidazol-2-ylmethylidene)-7-[(5-methylpyrazin-2-yl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-(1H-imidazol-2-ylmethylidene)-7-(oxan-4-ylmethyl)pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-7-(oxan-4-ylmethyl)-5-(1H-pyrrol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

• Compound Name: (5Z)-2-amino-7-(1,3-benzothiazol-6-ylmethyl)-4-chloro-5-(1H-imidazol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-7-[(1,5-dimethylpyrazol-3-yl)methyl]-5-(1H-imidazol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-(1H-imidazol-2-ylmethylidene)-7-[(5-methylpyrazin-2-yl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-(1H-imidazol-2-ylmethylidene)-7-(oxan-4-ylmethyl)pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-7-(oxan-4-ylmethyl)-5-(1H-pyrrol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one
• PubChem CID: 161308082
• Molecular Formula: C83H75Cl5N34O7S
• Molecular Weight: 1870.08 g/mol
• Exact Mass: 1866.47
• IUPAC Name: (5Z)-2-amino-7-(1,3-benzothiazol-6-ylmethyl)-4-chloro-5-(1H-imidazol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-7-[(1,5-dimethylpyrazol-3-yl)methyl]-5-(1H-imidazol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-(1H-imidazol-2-ylmethylidene)-7-[(5-methylpyrazin-2-yl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-(1H-imidazol-2-ylmethylidene)-7-(oxan-4-ylmethyl)pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-7-(oxan-4-ylmethyl)-5-(1H-pyrrol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one
• SMILES: Cc1cc(CN2C(=O)/C(=C\c3ncc[nH]3)c3c(Cl)nc(N)nc32)nn1C.Cc1cnc(CN2C(=O)/C(=C\c3ncc[nH]3)c3c(Cl)nc(N)nc32)cn1.Nc1nc(Cl)c2c(n1)N(CC1CCOCC1)C(=O)/C2=C\c1ccc[nH]1.Nc1nc(Cl)c2c(n1)N(CC1CCOCC1)C(=O)/C2=C\c1ncc[nH]1.Nc1nc(Cl)c2c(n1)N(Cc1ccc3ncsc3c1)C(=O)/C2=C\c1ncc[nH]1
• InChI: InChI=1S/C18H12ClN7OS.C17H18ClN5O2.C16H15ClN8O.C16H13ClN8O.C16H17ClN6O2/c19-15-14-10(6-13-21-3-4-22-13)17(27)26(16(14)25-18(20)24-15)7-9-1-2-11-12(5-9)28-8-23-11;18-14-13-12(8-11-2-1-5-20-11)16(24)23(15(13)22-17(19)21-14)9-10-3-6-25-7-4-10;1-8-5-9(23-24(8)2)7-25-14-12(13(17)21-16(18)22-14)10(15(25)26)6-11-19-3-4-20-11;1-8-5-22-9(6-21-8)7-25-14-12(13(17)23-16(18)24-14)10(15(25)26)4-11-19-2-3-20-11;17-13-12-10(7-11-19-3-4-20-11)15(24)23(14(12)22-16(18)21-13)8-9-1-5-25-6-2-9/h1-6,8H,7H2,(H,21,22)(H2,20,24,25);1-2,5,8,10,20H,3-4,6-7,9H2,(H2,19,21,22);3-6H,7H2,1-2H3,(H,19,20)(H2,18,21,22);2-6H,7H2,1H3,(H,19,20)(H2,18,23,24);3-4,7,9H,1-2,5-6,8H2,(H,19,20)(H2,18,21,22)/b10-6-;12-8-;10-6-;10-4-;10-7-
• InChIKey: VINGPFMWPRFHJL-RNLYNOEPSA-N
• XLogP: 10.42
• TPSA: 566.01 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 32
• Rotatable Bonds: 15
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1870.08
LogP ≤ 5	10.42
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	32

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-7-(1,3-benzothiazol-6-ylmethyl)-4-chloro-5-(1H-imidazol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-7-[(1,5-dimethylpyrazol-3-yl)methyl]-5-(1H-imidazol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-(1H-imidazol-2-ylmethylidene)-7-[(5-methylpyrazin-2-yl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-(1H-imidazol-2-ylmethylidene)-7-(oxan-4-ylmethyl)pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-7-(oxan-4-ylmethyl)-5-(1H-pyrrol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one?

The IUPAC name of (5Z)-2-amino-7-(1,3-benzothiazol-6-ylmethyl)-4-chloro-5-(1H-imidazol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-7-[(1,5-dimethylpyrazol-3-yl)methyl]-5-(1H-imidazol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-(1H-imidazol-2-ylmethylidene)-7-[(5-methylpyrazin-2-yl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-(1H-imidazol-2-ylmethylidene)-7-(oxan-4-ylmethyl)pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-7-(oxan-4-ylmethyl)-5-(1H-pyrrol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one (CID 161308082) is (5Z)-2-amino-7-(1,3-benzothiazol-6-ylmethyl)-4-chloro-5-(1H-imidazol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-7-[(1,5-dimethylpyrazol-3-yl)methyl]-5-(1H-imidazol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-(1H-imidazol-2-ylmethylidene)-7-[(5-methylpyrazin-2-yl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-(1H-imidazol-2-ylmethylidene)-7-(oxan-4-ylmethyl)pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-7-(oxan-4-ylmethyl)-5-(1H-pyrrol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one.

What is the SMILES notation for (5Z)-2-amino-7-(1,3-benzothiazol-6-ylmethyl)-4-chloro-5-(1H-imidazol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-7-[(1,5-dimethylpyrazol-3-yl)methyl]-5-(1H-imidazol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-(1H-imidazol-2-ylmethylidene)-7-[(5-methylpyrazin-2-yl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-(1H-imidazol-2-ylmethylidene)-7-(oxan-4-ylmethyl)pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-7-(oxan-4-ylmethyl)-5-(1H-pyrrol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one?

The canonical SMILES for (5Z)-2-amino-7-(1,3-benzothiazol-6-ylmethyl)-4-chloro-5-(1H-imidazol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-7-[(1,5-dimethylpyrazol-3-yl)methyl]-5-(1H-imidazol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-(1H-imidazol-2-ylmethylidene)-7-[(5-methylpyrazin-2-yl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-(1H-imidazol-2-ylmethylidene)-7-(oxan-4-ylmethyl)pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-7-(oxan-4-ylmethyl)-5-(1H-pyrrol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one is Cc1cc(CN2C(=O)/C(=C\c3ncc[nH]3)c3c(Cl)nc(N)nc32)nn1C.Cc1cnc(CN2C(=O)/C(=C\c3ncc[nH]3)c3c(Cl)nc(N)nc32)cn1.Nc1nc(Cl)c2c(n1)N(CC1CCOCC1)C(=O)/C2=C\c1ccc[nH]1.Nc1nc(Cl)c2c(n1)N(CC1CCOCC1)C(=O)/C2=C\c1ncc[nH]1.Nc1nc(Cl)c2c(n1)N(Cc1ccc3ncsc3c1)C(=O)/C2=C\c1ncc[nH]1.

What is the InChIKey of (5Z)-2-amino-7-(1,3-benzothiazol-6-ylmethyl)-4-chloro-5-(1H-imidazol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-7-[(1,5-dimethylpyrazol-3-yl)methyl]-5-(1H-imidazol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-(1H-imidazol-2-ylmethylidene)-7-[(5-methylpyrazin-2-yl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-(1H-imidazol-2-ylmethylidene)-7-(oxan-4-ylmethyl)pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-7-(oxan-4-ylmethyl)-5-(1H-pyrrol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one?

The InChIKey is VINGPFMWPRFHJL-RNLYNOEPSA-N. The full InChI is InChI=1S/C18H12ClN7OS.C17H18ClN5O2.C16H15ClN8O.C16H13ClN8O.C16H17ClN6O2/c19-15-14-10(6-13-21-3-4-22-13)17(27)26(16(14)25-18(20)24-15)7-9-1-2-11-12(5-9)28-8-23-11;18-14-13-12(8-11-2-1-5-20-11)16(24)23(15(13)22-17(19)21-14)9-10-3-6-25-7-4-10;1-8-5-9(23-24(8)2)7-25-14-12(13(17)21-16(18)22-14)10(15(25)26)6-11-19-3-4-20-11;1-8-5-22-9(6-21-8)7-25-14-12(13(17)23-16(18)24-14)10(15(25)26)4-11-19-2-3-20-11;17-13-12-10(7-11-19-3-4-20-11)15(24)23(14(12)22-16(18)21-13)8-9-1-5-25-6-2-9/h1-6,8H,7H2,(H,21,22)(H2,20,24,25);1-2,5,8,10,20H,3-4,6-7,9H2,(H2,19,21,22);3-6H,7H2,1-2H3,(H,19,20)(H2,18,21,22);2-6H,7H2,1H3,(H,19,20)(H2,18,23,24);3-4,7,9H,1-2,5-6,8H2,(H,19,20)(H2,18,21,22)/b10-6-;12-8-;10-6-;10-4-;10-7-.

What are the key properties of (5Z)-2-amino-7-(1,3-benzothiazol-6-ylmethyl)-4-chloro-5-(1H-imidazol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-7-[(1,5-dimethylpyrazol-3-yl)methyl]-5-(1H-imidazol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-(1H-imidazol-2-ylmethylidene)-7-[(5-methylpyrazin-2-yl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-(1H-imidazol-2-ylmethylidene)-7-(oxan-4-ylmethyl)pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-7-(oxan-4-ylmethyl)-5-(1H-pyrrol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one?

(5Z)-2-amino-7-(1,3-benzothiazol-6-ylmethyl)-4-chloro-5-(1H-imidazol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-7-[(1,5-dimethylpyrazol-3-yl)methyl]-5-(1H-imidazol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-(1H-imidazol-2-ylmethylidene)-7-[(5-methylpyrazin-2-yl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-(1H-imidazol-2-ylmethylidene)-7-(oxan-4-ylmethyl)pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-7-(oxan-4-ylmethyl)-5-(1H-pyrrol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 1870.08 g/mol, XLogP of 10.42, 15 rotatable bonds, 10 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-2-amino-7-(1,3-benzothiazol-6-ylmethyl)-4-chloro-5-(1H-imidazol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-7-[(1,5-dimethylpyrazol-3-yl)methyl]-5-(1H-imidazol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-(1H-imidazol-2-ylmethylidene)-7-[(5-methylpyrazin-2-yl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-(1H-imidazol-2-ylmethylidene)-7-(oxan-4-ylmethyl)pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-7-(oxan-4-ylmethyl)-5-(1H-pyrrol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 161308082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).