(5Z)-2-amino-4-chloro-5-[[5-[(4S)-4,5-dihydroxypentanoyl]-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-[[5-[4-(2-hydroxyethyl)piperazine-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-[[5-[4-(4-hydroxypiperidin-1-yl)butanoyl]-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-(dimethylamino)-5-(1H-imidazol-2-ylmethylidene)-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one

C102H116Cl3N29O15 — CID 159415549

About (5Z)-2-amino-4-chloro-5-[[5-[(4S)-4,5-dihydroxypentanoyl]-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-[[5-[4-(2-hydroxyethyl)piperazine-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-[[5-[4-(4-hydroxypiperidin-1-yl)butanoyl]-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-(dimethylamino)-5-(1H-imidazol-2-ylmethylidene)-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one

(5Z)-2-amino-4-chloro-5-[[5-[(4S)-4,5-dihydroxypentanoyl]-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-[[5-[4-(2-hydroxyethyl)piperazine-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-[[5-[4-(4-hydroxypiperidin-1-yl)butanoyl]-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-(dimethylamino)-5-(1H-imidazol-2-ylmethylidene)-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 159415549) has the molecular formula C102H116Cl3N29O15 and a molecular weight of 2094.60 g/mol. Its IUPAC name is (5Z)-2-amino-4-chloro-5-[[5-[(4S)-4,5-dihydroxypentanoyl]-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-[[5-[4-(2-hydroxyethyl)piperazine-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-[[5-[4-(4-hydroxypiperidin-1-yl)butanoyl]-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-(dimethylamino)-5-(1H-imidazol-2-ylmethylidene)-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

• Compound Name: (5Z)-2-amino-4-chloro-5-[[5-[(4S)-4,5-dihydroxypentanoyl]-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-[[5-[4-(2-hydroxyethyl)piperazine-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-[[5-[4-(4-hydroxypiperidin-1-yl)butanoyl]-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-(dimethylamino)-5-(1H-imidazol-2-ylmethylidene)-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one
• PubChem CID: 159415549
• Molecular Formula: C102H116Cl3N29O15
• Molecular Weight: 2094.60 g/mol
• Exact Mass: 2091.83
• IUPAC Name: (5Z)-2-amino-4-chloro-5-[[5-[(4S)-4,5-dihydroxypentanoyl]-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-[[5-[4-(2-hydroxyethyl)piperazine-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-[[5-[4-(4-hydroxypiperidin-1-yl)butanoyl]-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-(dimethylamino)-5-(1H-imidazol-2-ylmethylidene)-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one
• SMILES: COc1c(C)cnc(CN2C(=O)/C(=C\c3ccc(C(=O)CCCN4CCC(O)CC4)[nH]3)c3c(Cl)nc(N)nc32)c1C.COc1c(C)cnc(CN2C(=O)/C(=C\c3ccc(C(=O)CC[C@H](O)CO)[nH]3)c3c(Cl)nc(N)nc32)c1C.COc1c(C)cnc(CN2C(=O)/C(=C\c3ccc(C(=O)N4CCN(CCO)CC4)[nH]3)c3c(Cl)nc(N)nc32)c1C.COc1c(C)cnc(CN2C(=O)/C(=C\c3ncc[nH]3)c3c(N(C)C)nc(N)nc32)c1C
• InChI: InChI=1S/C29H34ClN7O4.C27H31ClN8O4.C25H27ClN6O5.C21H24N8O2/c1-16-14-32-22(17(2)25(16)41-3)15-37-27-24(26(30)34-29(31)35-27)20(28(37)40)13-18-6-7-21(33-18)23(39)5-4-10-36-11-8-19(38)9-12-36;1-15-13-30-20(16(2)22(15)40-3)14-36-24-21(23(28)32-27(29)33-24)18(25(36)38)12-17-4-5-19(31-17)26(39)35-8-6-34(7-9-35)10-11-37;1-12-9-28-18(13(2)21(12)37-3)10-32-23-20(22(26)30-25(27)31-23)16(24(32)36)8-14-4-6-17(29-14)19(35)7-5-15(34)11-33;1-11-9-25-14(12(2)17(11)31-5)10-29-19-16(18(28(3)4)26-21(22)27-19)13(20(29)30)8-15-23-6-7-24-15/h6-7,13-14,19,33,38H,4-5,8-12,15H2,1-3H3,(H2,31,34,35);4-5,12-13,31,37H,6-11,14H2,1-3H3,(H2,29,32,33);4,6,8-9,15,29,33-34H,5,7,10-11H2,1-3H3,(H2,27,30,31);6-9H,10H2,1-5H3,(H,23,24)(H2,22,26,27)/b20-13-;18-12-;16-8-;13-8-/t;;15-;/m..0./s1
• InChIKey: LPCSTNCVKMUJSQ-KNKHTRINSA-N
• XLogP: 9.89
• TPSA: 598.06 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 35
• Rotatable Bonds: 30
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2094.60
LogP ≤ 5	9.89
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	35

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-[[5-[(4S)-4,5-dihydroxypentanoyl]-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-[[5-[4-(2-hydroxyethyl)piperazine-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-[[5-[4-(4-hydroxypiperidin-1-yl)butanoyl]-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-(dimethylamino)-5-(1H-imidazol-2-ylmethylidene)-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one?

The IUPAC name of (5Z)-2-amino-4-chloro-5-[[5-[(4S)-4,5-dihydroxypentanoyl]-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-[[5-[4-(2-hydroxyethyl)piperazine-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-[[5-[4-(4-hydroxypiperidin-1-yl)butanoyl]-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-(dimethylamino)-5-(1H-imidazol-2-ylmethylidene)-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one (CID 159415549) is (5Z)-2-amino-4-chloro-5-[[5-[(4S)-4,5-dihydroxypentanoyl]-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-[[5-[4-(2-hydroxyethyl)piperazine-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-[[5-[4-(4-hydroxypiperidin-1-yl)butanoyl]-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-(dimethylamino)-5-(1H-imidazol-2-ylmethylidene)-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one.

What is the SMILES notation for (5Z)-2-amino-4-chloro-5-[[5-[(4S)-4,5-dihydroxypentanoyl]-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-[[5-[4-(2-hydroxyethyl)piperazine-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-[[5-[4-(4-hydroxypiperidin-1-yl)butanoyl]-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-(dimethylamino)-5-(1H-imidazol-2-ylmethylidene)-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one?

The canonical SMILES for (5Z)-2-amino-4-chloro-5-[[5-[(4S)-4,5-dihydroxypentanoyl]-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-[[5-[4-(2-hydroxyethyl)piperazine-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-[[5-[4-(4-hydroxypiperidin-1-yl)butanoyl]-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-(dimethylamino)-5-(1H-imidazol-2-ylmethylidene)-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one is COc1c(C)cnc(CN2C(=O)/C(=C\c3ccc(C(=O)CCCN4CCC(O)CC4)[nH]3)c3c(Cl)nc(N)nc32)c1C.COc1c(C)cnc(CN2C(=O)/C(=C\c3ccc(C(=O)CC[C@H](O)CO)[nH]3)c3c(Cl)nc(N)nc32)c1C.COc1c(C)cnc(CN2C(=O)/C(=C\c3ccc(C(=O)N4CCN(CCO)CC4)[nH]3)c3c(Cl)nc(N)nc32)c1C.COc1c(C)cnc(CN2C(=O)/C(=C\c3ncc[nH]3)c3c(N(C)C)nc(N)nc32)c1C.

What is the InChIKey of (5Z)-2-amino-4-chloro-5-[[5-[(4S)-4,5-dihydroxypentanoyl]-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-[[5-[4-(2-hydroxyethyl)piperazine-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-[[5-[4-(4-hydroxypiperidin-1-yl)butanoyl]-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-(dimethylamino)-5-(1H-imidazol-2-ylmethylidene)-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one?

The InChIKey is LPCSTNCVKMUJSQ-KNKHTRINSA-N. The full InChI is InChI=1S/C29H34ClN7O4.C27H31ClN8O4.C25H27ClN6O5.C21H24N8O2/c1-16-14-32-22(17(2)25(16)41-3)15-37-27-24(26(30)34-29(31)35-27)20(28(37)40)13-18-6-7-21(33-18)23(39)5-4-10-36-11-8-19(38)9-12-36;1-15-13-30-20(16(2)22(15)40-3)14-36-24-21(23(28)32-27(29)33-24)18(25(36)38)12-17-4-5-19(31-17)26(39)35-8-6-34(7-9-35)10-11-37;1-12-9-28-18(13(2)21(12)37-3)10-32-23-20(22(26)30-25(27)31-23)16(24(32)36)8-14-4-6-17(29-14)19(35)7-5-15(34)11-33;1-11-9-25-14(12(2)17(11)31-5)10-29-19-16(18(28(3)4)26-21(22)27-19)13(20(29)30)8-15-23-6-7-24-15/h6-7,13-14,19,33,38H,4-5,8-12,15H2,1-3H3,(H2,31,34,35);4-5,12-13,31,37H,6-11,14H2,1-3H3,(H2,29,32,33);4,6,8-9,15,29,33-34H,5,7,10-11H2,1-3H3,(H2,27,30,31);6-9H,10H2,1-5H3,(H,23,24)(H2,22,26,27)/b20-13-;18-12-;16-8-;13-8-/t;;15-;/m..0./s1.

What are the key properties of (5Z)-2-amino-4-chloro-5-[[5-[(4S)-4,5-dihydroxypentanoyl]-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-[[5-[4-(2-hydroxyethyl)piperazine-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-[[5-[4-(4-hydroxypiperidin-1-yl)butanoyl]-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-(dimethylamino)-5-(1H-imidazol-2-ylmethylidene)-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one?

(5Z)-2-amino-4-chloro-5-[[5-[(4S)-4,5-dihydroxypentanoyl]-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-[[5-[4-(2-hydroxyethyl)piperazine-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-[[5-[4-(4-hydroxypiperidin-1-yl)butanoyl]-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-(dimethylamino)-5-(1H-imidazol-2-ylmethylidene)-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 2094.60 g/mol, XLogP of 9.89, 30 rotatable bonds, 12 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-2-amino-4-chloro-5-[[5-[(4S)-4,5-dihydroxypentanoyl]-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-[[5-[4-(2-hydroxyethyl)piperazine-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-[[5-[4-(4-hydroxypiperidin-1-yl)butanoyl]-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-(dimethylamino)-5-(1H-imidazol-2-ylmethylidene)-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 159415549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).