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-(diethylamino)ethyl]-4-methyl-1H-pyrrole-3-carboxamide;N-[2-[(Z)-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-1H-imidazol-5-yl]-2-methylpropanamide;5-[(Z)-[2-amino-4-chloro-6-oxo-7-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-2,4-dimethyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide

C75H84Cl3F3N24O7S — CID 161450506

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-(diethylamino)ethyl]-4-methyl-1H-pyrrole-3-carboxamide;N-[2-[(Z)-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-1H-imidazol-5-yl]-2-methylpropanamide;5-[(Z)-[2-amino-4-chloro-6-oxo-7-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-2,4-dimethyl-N-(2-pyrrolidin-1-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-(diethylamino)ethyl]-4-methyl-1H-pyrrole-3-carboxamide;N-[2-[(Z)-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-1H-imidazol-5-yl]-2-methylpropanamide;5-[(Z)-[2-amino-4-chloro-6-oxo-7-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-2,4-dimethyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide (PubChem CID 161450506) has the molecular formula C75H84Cl3F3N24O7S and a molecular weight of 1629.08 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-(diethylamino)ethyl]-4-methyl-1H-pyrrole-3-carboxamide;N-[2-[(Z)-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-1H-imidazol-5-yl]-2-methylpropanamide;5-[(Z)-[2-amino-4-chloro-6-oxo-7-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-2,4-dimethyl-N-(2-pyrrolidin-1-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-(diethylamino)ethyl]-4-methyl-1H-pyrrole-3-carboxamide;N-[2-[(Z)-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-1H-imidazol-5-yl]-2-methylpropanamide;5-[(Z)-[2-amino-4-chloro-6-oxo-7-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-2,4-dimethyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide
• PubChem CID: 161450506
• Molecular Formula: C75H84Cl3F3N24O7S
• Molecular Weight: 1629.08 g/mol
• Exact Mass: 1626.57
• 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-(diethylamino)ethyl]-4-methyl-1H-pyrrole-3-carboxamide;N-[2-[(Z)-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-1H-imidazol-5-yl]-2-methylpropanamide;5-[(Z)-[2-amino-4-chloro-6-oxo-7-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-2,4-dimethyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide
• SMILES: CCN(CC)CCNC(=O)c1c[nH]c(/C=C2\C(=O)N(Cc3nc(C)c(C)s3)c3nc(N)nc(Cl)c32)c1C.COc1c(C)cnc(CN2C(=O)/C(=C\c3ncc(NC(=O)C(C)C)[nH]3)c3c(Cl)nc(N)nc32)c1C.Cc1[nH]c(/C=C2\C(=O)N(Cc3cc(C(F)(F)F)ccn3)c3nc(N)nc(Cl)c32)c(C)c1C(=O)NCCN1CCCC1
• InChI: InChI=1S/C27H28ClF3N8O2.C25H31ClN8O2S.C23H25ClN8O3/c1-14-19(35-15(2)20(14)24(40)34-7-10-38-8-3-4-9-38)12-18-21-22(28)36-26(32)37-23(21)39(25(18)41)13-17-11-16(5-6-33-17)27(29,30)31;1-6-33(7-2)9-8-28-23(35)17-11-29-18(13(17)3)10-16-20-21(26)31-25(27)32-22(20)34(24(16)36)12-19-30-14(4)15(5)37-19;1-10(2)21(33)29-16-8-27-15(28-16)6-13-17-19(24)30-23(25)31-20(17)32(22(13)34)9-14-12(4)18(35-5)11(3)7-26-14/h5-6,11-12,35H,3-4,7-10,13H2,1-2H3,(H,34,40)(H2,32,36,37);10-11,29H,6-9,12H2,1-5H3,(H,28,35)(H2,27,31,32);6-8,10H,9H2,1-5H3,(H,27,28)(H,29,33)(H2,25,30,31)/b18-12-;16-10-;13-6-
• InChIKey: WALVTSUXMDAEIP-SYHSTHCGSA-N
• XLogP: 10.70
• TPSA: 418.27 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 23
• Rotatable Bonds: 22
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1629.08
LogP ≤ 5	10.70
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	23

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-(diethylamino)ethyl]-4-methyl-1H-pyrrole-3-carboxamide;N-[2-[(Z)-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-1H-imidazol-5-yl]-2-methylpropanamide;5-[(Z)-[2-amino-4-chloro-6-oxo-7-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-2,4-dimethyl-N-(2-pyrrolidin-1-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-(diethylamino)ethyl]-4-methyl-1H-pyrrole-3-carboxamide;N-[2-[(Z)-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-1H-imidazol-5-yl]-2-methylpropanamide;5-[(Z)-[2-amino-4-chloro-6-oxo-7-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-2,4-dimethyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide (CID 161450506) 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-(diethylamino)ethyl]-4-methyl-1H-pyrrole-3-carboxamide;N-[2-[(Z)-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-1H-imidazol-5-yl]-2-methylpropanamide;5-[(Z)-[2-amino-4-chloro-6-oxo-7-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-2,4-dimethyl-N-(2-pyrrolidin-1-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-(diethylamino)ethyl]-4-methyl-1H-pyrrole-3-carboxamide;N-[2-[(Z)-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-1H-imidazol-5-yl]-2-methylpropanamide;5-[(Z)-[2-amino-4-chloro-6-oxo-7-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-2,4-dimethyl-N-(2-pyrrolidin-1-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-(diethylamino)ethyl]-4-methyl-1H-pyrrole-3-carboxamide;N-[2-[(Z)-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-1H-imidazol-5-yl]-2-methylpropanamide;5-[(Z)-[2-amino-4-chloro-6-oxo-7-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-2,4-dimethyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide is CCN(CC)CCNC(=O)c1c[nH]c(/C=C2\C(=O)N(Cc3nc(C)c(C)s3)c3nc(N)nc(Cl)c32)c1C.COc1c(C)cnc(CN2C(=O)/C(=C\c3ncc(NC(=O)C(C)C)[nH]3)c3c(Cl)nc(N)nc32)c1C.Cc1[nH]c(/C=C2\C(=O)N(Cc3cc(C(F)(F)F)ccn3)c3nc(N)nc(Cl)c32)c(C)c1C(=O)NCCN1CCCC1.

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-(diethylamino)ethyl]-4-methyl-1H-pyrrole-3-carboxamide;N-[2-[(Z)-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-1H-imidazol-5-yl]-2-methylpropanamide;5-[(Z)-[2-amino-4-chloro-6-oxo-7-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-2,4-dimethyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide?

The InChIKey is WALVTSUXMDAEIP-SYHSTHCGSA-N. The full InChI is InChI=1S/C27H28ClF3N8O2.C25H31ClN8O2S.C23H25ClN8O3/c1-14-19(35-15(2)20(14)24(40)34-7-10-38-8-3-4-9-38)12-18-21-22(28)36-26(32)37-23(21)39(25(18)41)13-17-11-16(5-6-33-17)27(29,30)31;1-6-33(7-2)9-8-28-23(35)17-11-29-18(13(17)3)10-16-20-21(26)31-25(27)32-22(20)34(24(16)36)12-19-30-14(4)15(5)37-19;1-10(2)21(33)29-16-8-27-15(28-16)6-13-17-19(24)30-23(25)31-20(17)32(22(13)34)9-14-12(4)18(35-5)11(3)7-26-14/h5-6,11-12,35H,3-4,7-10,13H2,1-2H3,(H,34,40)(H2,32,36,37);10-11,29H,6-9,12H2,1-5H3,(H,28,35)(H2,27,31,32);6-8,10H,9H2,1-5H3,(H,27,28)(H,29,33)(H2,25,30,31)/b18-12-;16-10-;13-6-.

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-(diethylamino)ethyl]-4-methyl-1H-pyrrole-3-carboxamide;N-[2-[(Z)-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-1H-imidazol-5-yl]-2-methylpropanamide;5-[(Z)-[2-amino-4-chloro-6-oxo-7-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-2,4-dimethyl-N-(2-pyrrolidin-1-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-(diethylamino)ethyl]-4-methyl-1H-pyrrole-3-carboxamide;N-[2-[(Z)-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-1H-imidazol-5-yl]-2-methylpropanamide;5-[(Z)-[2-amino-4-chloro-6-oxo-7-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-2,4-dimethyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide has a molecular weight of 1629.08 g/mol, XLogP of 10.70, 22 rotatable bonds, 9 hydrogen bond donors, and 23 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-(diethylamino)ethyl]-4-methyl-1H-pyrrole-3-carboxamide;N-[2-[(Z)-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-1H-imidazol-5-yl]-2-methylpropanamide;5-[(Z)-[2-amino-4-chloro-6-oxo-7-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-2,4-dimethyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 161450506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).