ethyl 7-[benzyl(methyl)amino]-5-methylpyrazolo[1,5-a]pyridine-3-carboxylate;bis(ethyl 7-[benzyl(methyl)amino]-5-[1-[1-(oxan-4-yl)-5-oxopyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate);ethyl 7-[benzyl(methyl)amino]-5-[1-[(3R)-1-(oxan-4-yl)-5-oxopyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;4-(3-iodopyrrolo[2,3-b]pyridin-1-yl)-1-(oxan-4-yl)pyrrolidin-2-one

C134H144IN27O16 — CID 158511931

About ethyl 7-[benzyl(methyl)amino]-5-methylpyrazolo[1,5-a]pyridine-3-carboxylate;bis(ethyl 7-[benzyl(methyl)amino]-5-[1-[1-(oxan-4-yl)-5-oxopyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate);ethyl 7-[benzyl(methyl)amino]-5-[1-[(3R)-1-(oxan-4-yl)-5-oxopyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;4-(3-iodopyrrolo[2,3-b]pyridin-1-yl)-1-(oxan-4-yl)pyrrolidin-2-one

ethyl 7-[benzyl(methyl)amino]-5-methylpyrazolo[1,5-a]pyridine-3-carboxylate;bis(ethyl 7-[benzyl(methyl)amino]-5-[1-[1-(oxan-4-yl)-5-oxopyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate);ethyl 7-[benzyl(methyl)amino]-5-[1-[(3R)-1-(oxan-4-yl)-5-oxopyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;4-(3-iodopyrrolo[2,3-b]pyridin-1-yl)-1-(oxan-4-yl)pyrrolidin-2-one (PubChem CID 158511931) has the molecular formula C134H144IN27O16 and a molecular weight of 2515.70 g/mol. Its IUPAC name is ethyl 7-[benzyl(methyl)amino]-5-methylpyrazolo[1,5-a]pyridine-3-carboxylate;bis(ethyl 7-[benzyl(methyl)amino]-5-[1-[1-(oxan-4-yl)-5-oxopyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate);ethyl 7-[benzyl(methyl)amino]-5-[1-[(3R)-1-(oxan-4-yl)-5-oxopyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;4-(3-iodopyrrolo[2,3-b]pyridin-1-yl)-1-(oxan-4-yl)pyrrolidin-2-one.

Molecular Properties

• Compound Name: ethyl 7-[benzyl(methyl)amino]-5-methylpyrazolo[1,5-a]pyridine-3-carboxylate;bis(ethyl 7-[benzyl(methyl)amino]-5-[1-[1-(oxan-4-yl)-5-oxopyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate);ethyl 7-[benzyl(methyl)amino]-5-[1-[(3R)-1-(oxan-4-yl)-5-oxopyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;4-(3-iodopyrrolo[2,3-b]pyridin-1-yl)-1-(oxan-4-yl)pyrrolidin-2-one
• PubChem CID: 158511931
• Molecular Formula: C134H144IN27O16
• Molecular Weight: 2515.70 g/mol
• Exact Mass: 2514.03
• IUPAC Name: ethyl 7-[benzyl(methyl)amino]-5-methylpyrazolo[1,5-a]pyridine-3-carboxylate;bis(ethyl 7-[benzyl(methyl)amino]-5-[1-[1-(oxan-4-yl)-5-oxopyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate);ethyl 7-[benzyl(methyl)amino]-5-[1-[(3R)-1-(oxan-4-yl)-5-oxopyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;4-(3-iodopyrrolo[2,3-b]pyridin-1-yl)-1-(oxan-4-yl)pyrrolidin-2-one
• SMILES: CCOC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(-c3cn(C4CC(=O)N(C5CCOCC5)C4)c4ncccc34)nc12.CCOC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(-c3cn(C4CC(=O)N(C5CCOCC5)C4)c4ncccc34)nc12.CCOC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(-c3cn([C@@H]4CC(=O)N(C5CCOCC5)C4)c4ncccc34)nc12.CCOC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(C)cc12.O=C1CC(n2cc(I)c3cccnc32)CN1C1CCOCC1
• InChI: InChI=1S/3C33H35N7O4.C19H21N3O2.C16H18IN3O2/c3*1-3-44-33(42)26-18-35-40-29(37(2)19-22-8-5-4-6-9-22)17-28(36-32(26)40)27-21-39(31-25(27)10-7-13-34-31)24-16-30(41)38(20-24)23-11-14-43-15-12-23;1-4-24-19(23)16-12-20-22-17(16)10-14(2)11-18(22)21(3)13-15-8-6-5-7-9-15;17-14-10-20(16-13(14)2-1-5-18-16)12-8-15(21)19(9-12)11-3-6-22-7-4-11/h3*4-10,13,17-18,21,23-24H,3,11-12,14-16,19-20H2,1-2H3;5-12H,4,13H2,1-3H3;1-2,5,10-12H,3-4,6-9H2/t24-;;;;/m1..../s1
• InChIKey: HLDYWRPDNVPZRS-YATFKFJDSA-N
• XLogP: 19.58
• TPSA: 415.47 Ų
• H-Bond Acceptors: 39
• Rotatable Bonds: 31
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2515.70
LogP ≤ 5	19.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl 7-[benzyl(methyl)amino]-5-methylpyrazolo[1,5-a]pyridine-3-carboxylate;bis(ethyl 7-[benzyl(methyl)amino]-5-[1-[1-(oxan-4-yl)-5-oxopyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate);ethyl 7-[benzyl(methyl)amino]-5-[1-[(3R)-1-(oxan-4-yl)-5-oxopyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;4-(3-iodopyrrolo[2,3-b]pyridin-1-yl)-1-(oxan-4-yl)pyrrolidin-2-one?

The IUPAC name of ethyl 7-[benzyl(methyl)amino]-5-methylpyrazolo[1,5-a]pyridine-3-carboxylate;bis(ethyl 7-[benzyl(methyl)amino]-5-[1-[1-(oxan-4-yl)-5-oxopyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate);ethyl 7-[benzyl(methyl)amino]-5-[1-[(3R)-1-(oxan-4-yl)-5-oxopyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;4-(3-iodopyrrolo[2,3-b]pyridin-1-yl)-1-(oxan-4-yl)pyrrolidin-2-one (CID 158511931) is ethyl 7-[benzyl(methyl)amino]-5-methylpyrazolo[1,5-a]pyridine-3-carboxylate;bis(ethyl 7-[benzyl(methyl)amino]-5-[1-[1-(oxan-4-yl)-5-oxopyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate);ethyl 7-[benzyl(methyl)amino]-5-[1-[(3R)-1-(oxan-4-yl)-5-oxopyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;4-(3-iodopyrrolo[2,3-b]pyridin-1-yl)-1-(oxan-4-yl)pyrrolidin-2-one.

What is the SMILES notation for ethyl 7-[benzyl(methyl)amino]-5-methylpyrazolo[1,5-a]pyridine-3-carboxylate;bis(ethyl 7-[benzyl(methyl)amino]-5-[1-[1-(oxan-4-yl)-5-oxopyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate);ethyl 7-[benzyl(methyl)amino]-5-[1-[(3R)-1-(oxan-4-yl)-5-oxopyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;4-(3-iodopyrrolo[2,3-b]pyridin-1-yl)-1-(oxan-4-yl)pyrrolidin-2-one?

The canonical SMILES for ethyl 7-[benzyl(methyl)amino]-5-methylpyrazolo[1,5-a]pyridine-3-carboxylate;bis(ethyl 7-[benzyl(methyl)amino]-5-[1-[1-(oxan-4-yl)-5-oxopyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate);ethyl 7-[benzyl(methyl)amino]-5-[1-[(3R)-1-(oxan-4-yl)-5-oxopyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;4-(3-iodopyrrolo[2,3-b]pyridin-1-yl)-1-(oxan-4-yl)pyrrolidin-2-one is CCOC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(-c3cn(C4CC(=O)N(C5CCOCC5)C4)c4ncccc34)nc12.CCOC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(-c3cn(C4CC(=O)N(C5CCOCC5)C4)c4ncccc34)nc12.CCOC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(-c3cn([C@@H]4CC(=O)N(C5CCOCC5)C4)c4ncccc34)nc12.CCOC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(C)cc12.O=C1CC(n2cc(I)c3cccnc32)CN1C1CCOCC1.

What is the InChIKey of ethyl 7-[benzyl(methyl)amino]-5-methylpyrazolo[1,5-a]pyridine-3-carboxylate;bis(ethyl 7-[benzyl(methyl)amino]-5-[1-[1-(oxan-4-yl)-5-oxopyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate);ethyl 7-[benzyl(methyl)amino]-5-[1-[(3R)-1-(oxan-4-yl)-5-oxopyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;4-(3-iodopyrrolo[2,3-b]pyridin-1-yl)-1-(oxan-4-yl)pyrrolidin-2-one?

The InChIKey is HLDYWRPDNVPZRS-YATFKFJDSA-N. The full InChI is InChI=1S/3C33H35N7O4.C19H21N3O2.C16H18IN3O2/c3*1-3-44-33(42)26-18-35-40-29(37(2)19-22-8-5-4-6-9-22)17-28(36-32(26)40)27-21-39(31-25(27)10-7-13-34-31)24-16-30(41)38(20-24)23-11-14-43-15-12-23;1-4-24-19(23)16-12-20-22-17(16)10-14(2)11-18(22)21(3)13-15-8-6-5-7-9-15;17-14-10-20(16-13(14)2-1-5-18-16)12-8-15(21)19(9-12)11-3-6-22-7-4-11/h3*4-10,13,17-18,21,23-24H,3,11-12,14-16,19-20H2,1-2H3;5-12H,4,13H2,1-3H3;1-2,5,10-12H,3-4,6-9H2/t24-;;;;/m1..../s1.

What are the key properties of ethyl 7-[benzyl(methyl)amino]-5-methylpyrazolo[1,5-a]pyridine-3-carboxylate;bis(ethyl 7-[benzyl(methyl)amino]-5-[1-[1-(oxan-4-yl)-5-oxopyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate);ethyl 7-[benzyl(methyl)amino]-5-[1-[(3R)-1-(oxan-4-yl)-5-oxopyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;4-(3-iodopyrrolo[2,3-b]pyridin-1-yl)-1-(oxan-4-yl)pyrrolidin-2-one?

ethyl 7-[benzyl(methyl)amino]-5-methylpyrazolo[1,5-a]pyridine-3-carboxylate;bis(ethyl 7-[benzyl(methyl)amino]-5-[1-[1-(oxan-4-yl)-5-oxopyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate);ethyl 7-[benzyl(methyl)amino]-5-[1-[(3R)-1-(oxan-4-yl)-5-oxopyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;4-(3-iodopyrrolo[2,3-b]pyridin-1-yl)-1-(oxan-4-yl)pyrrolidin-2-one has a molecular weight of 2515.70 g/mol, XLogP of 19.58, 31 rotatable bonds, 0 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 7-[benzyl(methyl)amino]-5-methylpyrazolo[1,5-a]pyridine-3-carboxylate;bis(ethyl 7-[benzyl(methyl)amino]-5-[1-[1-(oxan-4-yl)-5-oxopyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate);ethyl 7-[benzyl(methyl)amino]-5-[1-[(3R)-1-(oxan-4-yl)-5-oxopyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;4-(3-iodopyrrolo[2,3-b]pyridin-1-yl)-1-(oxan-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 158511931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).