5-[(Z)-[2-amino-4-chloro-7-[(1,5-dimethylpyrazol-4-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-[2-(diethylamino)ethyl]-4-methyl-1H-pyrrole-3-carboxamide;5-[(Z)-[2-amino-4-chloro-7-[(1,5-dimethylpyrazol-3-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-[2-(diethylamino)ethyl]-1H-pyrrole-3-carboxamide;(5Z)-2-amino-4-chloro-5-(1H-imidazol-2-ylmethylidene)-7-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-(1H-pyrrol-2-ylmethylidene)-7-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyrrolo[2,3-d]pyrimidin-6-one

C90H115Cl4N31O6 — CID 158948214

About 5-[(Z)-[2-amino-4-chloro-7-[(1,5-dimethylpyrazol-4-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-[2-(diethylamino)ethyl]-4-methyl-1H-pyrrole-3-carboxamide;5-[(Z)-[2-amino-4-chloro-7-[(1,5-dimethylpyrazol-3-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-[2-(diethylamino)ethyl]-1H-pyrrole-3-carboxamide;(5Z)-2-amino-4-chloro-5-(1H-imidazol-2-ylmethylidene)-7-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-(1H-pyrrol-2-ylmethylidene)-7-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyrrolo[2,3-d]pyrimidin-6-one

5-[(Z)-[2-amino-4-chloro-7-[(1,5-dimethylpyrazol-4-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-[2-(diethylamino)ethyl]-4-methyl-1H-pyrrole-3-carboxamide;5-[(Z)-[2-amino-4-chloro-7-[(1,5-dimethylpyrazol-3-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-[2-(diethylamino)ethyl]-1H-pyrrole-3-carboxamide;(5Z)-2-amino-4-chloro-5-(1H-imidazol-2-ylmethylidene)-7-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-(1H-pyrrol-2-ylmethylidene)-7-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 158948214) has the molecular formula C90H115Cl4N31O6 and a molecular weight of 1868.93 g/mol. Its IUPAC name is 5-[(Z)-[2-amino-4-chloro-7-[(1,5-dimethylpyrazol-4-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-[2-(diethylamino)ethyl]-4-methyl-1H-pyrrole-3-carboxamide;5-[(Z)-[2-amino-4-chloro-7-[(1,5-dimethylpyrazol-3-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-[2-(diethylamino)ethyl]-1H-pyrrole-3-carboxamide;(5Z)-2-amino-4-chloro-5-(1H-imidazol-2-ylmethylidene)-7-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-(1H-pyrrol-2-ylmethylidene)-7-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

• Compound Name: 5-[(Z)-[2-amino-4-chloro-7-[(1,5-dimethylpyrazol-4-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-[2-(diethylamino)ethyl]-4-methyl-1H-pyrrole-3-carboxamide;5-[(Z)-[2-amino-4-chloro-7-[(1,5-dimethylpyrazol-3-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-[2-(diethylamino)ethyl]-1H-pyrrole-3-carboxamide;(5Z)-2-amino-4-chloro-5-(1H-imidazol-2-ylmethylidene)-7-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-(1H-pyrrol-2-ylmethylidene)-7-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyrrolo[2,3-d]pyrimidin-6-one
• PubChem CID: 158948214
• Molecular Formula: C90H115Cl4N31O6
• Molecular Weight: 1868.93 g/mol
• Exact Mass: 1865.84
• IUPAC Name: 5-[(Z)-[2-amino-4-chloro-7-[(1,5-dimethylpyrazol-4-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-[2-(diethylamino)ethyl]-4-methyl-1H-pyrrole-3-carboxamide;5-[(Z)-[2-amino-4-chloro-7-[(1,5-dimethylpyrazol-3-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-[2-(diethylamino)ethyl]-1H-pyrrole-3-carboxamide;(5Z)-2-amino-4-chloro-5-(1H-imidazol-2-ylmethylidene)-7-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-(1H-pyrrol-2-ylmethylidene)-7-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyrrolo[2,3-d]pyrimidin-6-one
• SMILES: CC1(C)CC(CN2C(=O)/C(=C\c3ccc[nH]3)c3c(Cl)nc(N)nc32)CC(C)(C)N1.CC1(C)CC(CN2C(=O)/C(=C\c3ncc[nH]3)c3c(Cl)nc(N)nc32)CC(C)(C)N1.CCN(CC)CCNC(=O)c1c[nH]c(/C=C2\C(=O)N(Cc3cc(C)n(C)n3)c3nc(N)nc(Cl)c32)c1.CCN(CC)CCNC(=O)c1c[nH]c(/C=C2\C(=O)N(Cc3cnn(C)c3C)c3nc(N)nc(Cl)c32)c1C
• InChI: InChI=1S/C25H32ClN9O2.C24H30ClN9O2.C21H27ClN6O.C20H26ClN7O/c1-6-34(7-2)9-8-28-23(36)18-12-29-19(14(18)3)10-17-20-21(26)31-25(27)32-22(20)35(24(17)37)13-16-11-30-33(5)15(16)4;1-5-33(6-2)8-7-27-22(35)15-10-16(28-12-15)11-18-19-20(25)29-24(26)30-21(19)34(23(18)36)13-17-9-14(3)32(4)31-17;1-20(2)9-12(10-21(3,4)27-20)11-28-17-15(16(22)25-19(23)26-17)14(18(28)29)8-13-6-5-7-24-13;1-19(2)8-11(9-20(3,4)27-19)10-28-16-14(15(21)25-18(22)26-16)12(17(28)29)7-13-23-5-6-24-13/h10-12,29H,6-9,13H2,1-5H3,(H,28,36)(H2,27,31,32);9-12,28H,5-8,13H2,1-4H3,(H,27,35)(H2,26,29,30);5-8,12,24,27H,9-11H2,1-4H3,(H2,23,25,26);5-7,11,27H,8-10H2,1-4H3,(H,23,24)(H2,22,25,26)/b17-10-;18-11-;14-8-;12-7-
• InChIKey: JLCBNRYJZNSHGF-CRZOIJMKSA-N
• XLogP: 11.15
• TPSA: 488.87 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 27
• Rotatable Bonds: 24
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1868.93
LogP ≤ 5	11.15
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-[2-amino-4-chloro-7-[(1,5-dimethylpyrazol-4-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-[2-(diethylamino)ethyl]-4-methyl-1H-pyrrole-3-carboxamide;5-[(Z)-[2-amino-4-chloro-7-[(1,5-dimethylpyrazol-3-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-[2-(diethylamino)ethyl]-1H-pyrrole-3-carboxamide;(5Z)-2-amino-4-chloro-5-(1H-imidazol-2-ylmethylidene)-7-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-(1H-pyrrol-2-ylmethylidene)-7-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyrrolo[2,3-d]pyrimidin-6-one?

The IUPAC name of 5-[(Z)-[2-amino-4-chloro-7-[(1,5-dimethylpyrazol-4-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-[2-(diethylamino)ethyl]-4-methyl-1H-pyrrole-3-carboxamide;5-[(Z)-[2-amino-4-chloro-7-[(1,5-dimethylpyrazol-3-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-[2-(diethylamino)ethyl]-1H-pyrrole-3-carboxamide;(5Z)-2-amino-4-chloro-5-(1H-imidazol-2-ylmethylidene)-7-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-(1H-pyrrol-2-ylmethylidene)-7-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyrrolo[2,3-d]pyrimidin-6-one (CID 158948214) is 5-[(Z)-[2-amino-4-chloro-7-[(1,5-dimethylpyrazol-4-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-[2-(diethylamino)ethyl]-4-methyl-1H-pyrrole-3-carboxamide;5-[(Z)-[2-amino-4-chloro-7-[(1,5-dimethylpyrazol-3-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-[2-(diethylamino)ethyl]-1H-pyrrole-3-carboxamide;(5Z)-2-amino-4-chloro-5-(1H-imidazol-2-ylmethylidene)-7-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-(1H-pyrrol-2-ylmethylidene)-7-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyrrolo[2,3-d]pyrimidin-6-one.

What is the SMILES notation for 5-[(Z)-[2-amino-4-chloro-7-[(1,5-dimethylpyrazol-4-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-[2-(diethylamino)ethyl]-4-methyl-1H-pyrrole-3-carboxamide;5-[(Z)-[2-amino-4-chloro-7-[(1,5-dimethylpyrazol-3-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-[2-(diethylamino)ethyl]-1H-pyrrole-3-carboxamide;(5Z)-2-amino-4-chloro-5-(1H-imidazol-2-ylmethylidene)-7-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-(1H-pyrrol-2-ylmethylidene)-7-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyrrolo[2,3-d]pyrimidin-6-one?

The canonical SMILES for 5-[(Z)-[2-amino-4-chloro-7-[(1,5-dimethylpyrazol-4-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-[2-(diethylamino)ethyl]-4-methyl-1H-pyrrole-3-carboxamide;5-[(Z)-[2-amino-4-chloro-7-[(1,5-dimethylpyrazol-3-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-[2-(diethylamino)ethyl]-1H-pyrrole-3-carboxamide;(5Z)-2-amino-4-chloro-5-(1H-imidazol-2-ylmethylidene)-7-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-(1H-pyrrol-2-ylmethylidene)-7-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyrrolo[2,3-d]pyrimidin-6-one is CC1(C)CC(CN2C(=O)/C(=C\c3ccc[nH]3)c3c(Cl)nc(N)nc32)CC(C)(C)N1.CC1(C)CC(CN2C(=O)/C(=C\c3ncc[nH]3)c3c(Cl)nc(N)nc32)CC(C)(C)N1.CCN(CC)CCNC(=O)c1c[nH]c(/C=C2\C(=O)N(Cc3cc(C)n(C)n3)c3nc(N)nc(Cl)c32)c1.CCN(CC)CCNC(=O)c1c[nH]c(/C=C2\C(=O)N(Cc3cnn(C)c3C)c3nc(N)nc(Cl)c32)c1C.

What is the InChIKey of 5-[(Z)-[2-amino-4-chloro-7-[(1,5-dimethylpyrazol-4-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-[2-(diethylamino)ethyl]-4-methyl-1H-pyrrole-3-carboxamide;5-[(Z)-[2-amino-4-chloro-7-[(1,5-dimethylpyrazol-3-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-[2-(diethylamino)ethyl]-1H-pyrrole-3-carboxamide;(5Z)-2-amino-4-chloro-5-(1H-imidazol-2-ylmethylidene)-7-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-(1H-pyrrol-2-ylmethylidene)-7-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyrrolo[2,3-d]pyrimidin-6-one?

The InChIKey is JLCBNRYJZNSHGF-CRZOIJMKSA-N. The full InChI is InChI=1S/C25H32ClN9O2.C24H30ClN9O2.C21H27ClN6O.C20H26ClN7O/c1-6-34(7-2)9-8-28-23(36)18-12-29-19(14(18)3)10-17-20-21(26)31-25(27)32-22(20)35(24(17)37)13-16-11-30-33(5)15(16)4;1-5-33(6-2)8-7-27-22(35)15-10-16(28-12-15)11-18-19-20(25)29-24(26)30-21(19)34(23(18)36)13-17-9-14(3)32(4)31-17;1-20(2)9-12(10-21(3,4)27-20)11-28-17-15(16(22)25-19(23)26-17)14(18(28)29)8-13-6-5-7-24-13;1-19(2)8-11(9-20(3,4)27-19)10-28-16-14(15(21)25-18(22)26-16)12(17(28)29)7-13-23-5-6-24-13/h10-12,29H,6-9,13H2,1-5H3,(H,28,36)(H2,27,31,32);9-12,28H,5-8,13H2,1-4H3,(H,27,35)(H2,26,29,30);5-8,12,24,27H,9-11H2,1-4H3,(H2,23,25,26);5-7,11,27H,8-10H2,1-4H3,(H,23,24)(H2,22,25,26)/b17-10-;18-11-;14-8-;12-7-.

What are the key properties of 5-[(Z)-[2-amino-4-chloro-7-[(1,5-dimethylpyrazol-4-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-[2-(diethylamino)ethyl]-4-methyl-1H-pyrrole-3-carboxamide;5-[(Z)-[2-amino-4-chloro-7-[(1,5-dimethylpyrazol-3-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-[2-(diethylamino)ethyl]-1H-pyrrole-3-carboxamide;(5Z)-2-amino-4-chloro-5-(1H-imidazol-2-ylmethylidene)-7-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-(1H-pyrrol-2-ylmethylidene)-7-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyrrolo[2,3-d]pyrimidin-6-one?

5-[(Z)-[2-amino-4-chloro-7-[(1,5-dimethylpyrazol-4-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-[2-(diethylamino)ethyl]-4-methyl-1H-pyrrole-3-carboxamide;5-[(Z)-[2-amino-4-chloro-7-[(1,5-dimethylpyrazol-3-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-[2-(diethylamino)ethyl]-1H-pyrrole-3-carboxamide;(5Z)-2-amino-4-chloro-5-(1H-imidazol-2-ylmethylidene)-7-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-(1H-pyrrol-2-ylmethylidene)-7-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 1868.93 g/mol, XLogP of 11.15, 24 rotatable bonds, 12 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(Z)-[2-amino-4-chloro-7-[(1,5-dimethylpyrazol-4-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-[2-(diethylamino)ethyl]-4-methyl-1H-pyrrole-3-carboxamide;5-[(Z)-[2-amino-4-chloro-7-[(1,5-dimethylpyrazol-3-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-[2-(diethylamino)ethyl]-1H-pyrrole-3-carboxamide;(5Z)-2-amino-4-chloro-5-(1H-imidazol-2-ylmethylidene)-7-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-(1H-pyrrol-2-ylmethylidene)-7-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 158948214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).