5-[(Z)-[2-amino-4-chloro-7-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-(2-morpholin-4-ylethyl)-1H-pyrrole-3-carboxamide;5-[(Z)-[2-amino-4-chloro-7-[(1-methylpyrazol-3-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-methylpyrazol-4-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-(2-morpholin-4-ylethyl)-1H-pyrrole-3-carboxamide

C71H83Cl3N26O8S — CID 158537928

About 5-[(Z)-[2-amino-4-chloro-7-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-(2-morpholin-4-ylethyl)-1H-pyrrole-3-carboxamide;5-[(Z)-[2-amino-4-chloro-7-[(1-methylpyrazol-3-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-methylpyrazol-4-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-(2-morpholin-4-ylethyl)-1H-pyrrole-3-carboxamide

5-[(Z)-[2-amino-4-chloro-7-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-(2-morpholin-4-ylethyl)-1H-pyrrole-3-carboxamide;5-[(Z)-[2-amino-4-chloro-7-[(1-methylpyrazol-3-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-methylpyrazol-4-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-(2-morpholin-4-ylethyl)-1H-pyrrole-3-carboxamide (PubChem CID 158537928) has the molecular formula C71H83Cl3N26O8S and a molecular weight of 1567.04 g/mol. Its IUPAC name is 5-[(Z)-[2-amino-4-chloro-7-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-(2-morpholin-4-ylethyl)-1H-pyrrole-3-carboxamide;5-[(Z)-[2-amino-4-chloro-7-[(1-methylpyrazol-3-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-methylpyrazol-4-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-(2-morpholin-4-ylethyl)-1H-pyrrole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[(Z)-[2-amino-4-chloro-7-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-(2-morpholin-4-ylethyl)-1H-pyrrole-3-carboxamide;5-[(Z)-[2-amino-4-chloro-7-[(1-methylpyrazol-3-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-methylpyrazol-4-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-(2-morpholin-4-ylethyl)-1H-pyrrole-3-carboxamide
• PubChem CID: 158537928
• Molecular Formula: C71H83Cl3N26O8S
• Molecular Weight: 1567.04 g/mol
• Exact Mass: 1564.57
• IUPAC Name: 5-[(Z)-[2-amino-4-chloro-7-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-(2-morpholin-4-ylethyl)-1H-pyrrole-3-carboxamide;5-[(Z)-[2-amino-4-chloro-7-[(1-methylpyrazol-3-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-methylpyrazol-4-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-(2-morpholin-4-ylethyl)-1H-pyrrole-3-carboxamide
• SMILES: CCN(CC)CCNC(=O)c1c[nH]c(/C=C2\C(=O)N(Cc3ccn(C)n3)c3nc(N)nc(Cl)c32)c1C.Cc1nc(CN2C(=O)/C(=C\c3cc(C(=O)NCCN4CCOCC4)c[nH]3)c3c(Cl)nc(N)nc32)sc1C.Cn1cc(CN2C(=O)/C(=C\c3cc(C(=O)NCCN4CCOCC4)c[nH]3)c3c(Cl)nc(N)nc32)cn1
• InChI: InChI=1S/C24H30ClN9O2.C24H27ClN8O3S.C23H26ClN9O3/c1-5-33(6-2)10-8-27-22(35)17-12-28-18(14(17)3)11-16-19-20(25)29-24(26)30-21(19)34(23(16)36)13-15-7-9-32(4)31-15;1-13-14(2)37-18(29-13)12-33-21-19(20(25)30-24(26)31-21)17(23(33)35)10-16-9-15(11-28-16)22(34)27-3-4-32-5-7-36-8-6-32;1-31-12-14(10-28-31)13-33-20-18(19(24)29-23(25)30-20)17(22(33)35)9-16-8-15(11-27-16)21(34)26-2-3-32-4-6-36-7-5-32/h7,9,11-12,28H,5-6,8,10,13H2,1-4H3,(H,27,35)(H2,26,29,30);9-11,28H,3-8,12H2,1-2H3,(H,27,34)(H2,26,30,31);8-12,27H,2-7,13H2,1H3,(H,26,34)(H2,25,29,30)/b16-11-;17-10-;17-9-
• InChIKey: HOEAAZNMGSOBRL-XRANQBLGSA-N
• XLogP: 5.43
• TPSA: 427.71 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 26
• Rotatable Bonds: 23
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1567.04
LogP ≤ 5	5.43
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	26

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-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-(2-morpholin-4-ylethyl)-1H-pyrrole-3-carboxamide;5-[(Z)-[2-amino-4-chloro-7-[(1-methylpyrazol-3-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-methylpyrazol-4-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-(2-morpholin-4-ylethyl)-1H-pyrrole-3-carboxamide?

The IUPAC name of 5-[(Z)-[2-amino-4-chloro-7-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-(2-morpholin-4-ylethyl)-1H-pyrrole-3-carboxamide;5-[(Z)-[2-amino-4-chloro-7-[(1-methylpyrazol-3-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-methylpyrazol-4-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-(2-morpholin-4-ylethyl)-1H-pyrrole-3-carboxamide (CID 158537928) is 5-[(Z)-[2-amino-4-chloro-7-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-(2-morpholin-4-ylethyl)-1H-pyrrole-3-carboxamide;5-[(Z)-[2-amino-4-chloro-7-[(1-methylpyrazol-3-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-methylpyrazol-4-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-(2-morpholin-4-ylethyl)-1H-pyrrole-3-carboxamide.

What is the SMILES notation for 5-[(Z)-[2-amino-4-chloro-7-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-(2-morpholin-4-ylethyl)-1H-pyrrole-3-carboxamide;5-[(Z)-[2-amino-4-chloro-7-[(1-methylpyrazol-3-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-methylpyrazol-4-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-(2-morpholin-4-ylethyl)-1H-pyrrole-3-carboxamide?

The canonical SMILES for 5-[(Z)-[2-amino-4-chloro-7-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-(2-morpholin-4-ylethyl)-1H-pyrrole-3-carboxamide;5-[(Z)-[2-amino-4-chloro-7-[(1-methylpyrazol-3-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-methylpyrazol-4-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-(2-morpholin-4-ylethyl)-1H-pyrrole-3-carboxamide is CCN(CC)CCNC(=O)c1c[nH]c(/C=C2\C(=O)N(Cc3ccn(C)n3)c3nc(N)nc(Cl)c32)c1C.Cc1nc(CN2C(=O)/C(=C\c3cc(C(=O)NCCN4CCOCC4)c[nH]3)c3c(Cl)nc(N)nc32)sc1C.Cn1cc(CN2C(=O)/C(=C\c3cc(C(=O)NCCN4CCOCC4)c[nH]3)c3c(Cl)nc(N)nc32)cn1.

What is the InChIKey of 5-[(Z)-[2-amino-4-chloro-7-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-(2-morpholin-4-ylethyl)-1H-pyrrole-3-carboxamide;5-[(Z)-[2-amino-4-chloro-7-[(1-methylpyrazol-3-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-methylpyrazol-4-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-(2-morpholin-4-ylethyl)-1H-pyrrole-3-carboxamide?

The InChIKey is HOEAAZNMGSOBRL-XRANQBLGSA-N. The full InChI is InChI=1S/C24H30ClN9O2.C24H27ClN8O3S.C23H26ClN9O3/c1-5-33(6-2)10-8-27-22(35)17-12-28-18(14(17)3)11-16-19-20(25)29-24(26)30-21(19)34(23(16)36)13-15-7-9-32(4)31-15;1-13-14(2)37-18(29-13)12-33-21-19(20(25)30-24(26)31-21)17(23(33)35)10-16-9-15(11-28-16)22(34)27-3-4-32-5-7-36-8-6-32;1-31-12-14(10-28-31)13-33-20-18(19(24)29-23(25)30-20)17(22(33)35)9-16-8-15(11-27-16)21(34)26-2-3-32-4-6-36-7-5-32/h7,9,11-12,28H,5-6,8,10,13H2,1-4H3,(H,27,35)(H2,26,29,30);9-11,28H,3-8,12H2,1-2H3,(H,27,34)(H2,26,30,31);8-12,27H,2-7,13H2,1H3,(H,26,34)(H2,25,29,30)/b16-11-;17-10-;17-9-.

What are the key properties of 5-[(Z)-[2-amino-4-chloro-7-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-(2-morpholin-4-ylethyl)-1H-pyrrole-3-carboxamide;5-[(Z)-[2-amino-4-chloro-7-[(1-methylpyrazol-3-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-methylpyrazol-4-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-(2-morpholin-4-ylethyl)-1H-pyrrole-3-carboxamide?

5-[(Z)-[2-amino-4-chloro-7-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-(2-morpholin-4-ylethyl)-1H-pyrrole-3-carboxamide;5-[(Z)-[2-amino-4-chloro-7-[(1-methylpyrazol-3-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-methylpyrazol-4-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-(2-morpholin-4-ylethyl)-1H-pyrrole-3-carboxamide has a molecular weight of 1567.04 g/mol, XLogP of 5.43, 23 rotatable bonds, 9 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(Z)-[2-amino-4-chloro-7-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-(2-morpholin-4-ylethyl)-1H-pyrrole-3-carboxamide;5-[(Z)-[2-amino-4-chloro-7-[(1-methylpyrazol-3-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-methylpyrazol-4-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-(2-morpholin-4-ylethyl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 158537928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).