1-[7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidin-3-yl]ethanone;tert-butyl 5-fluoro-3-iodopyrrolo[2,3-b]pyridine-1-carboxylate;bis(tert-butyl 5-fluoro-3-trimethylstannylpyrrolo[2,3-b]pyridine-1-carboxylate);ethyl 7-[benzyl(methyl)amino]-5-[5-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(5-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-fluoro-3-iodo-1H-pyrrolo[2,3-b]pyridine

C145H150ClF7I2N30O15Sn2 — CID 157406387

About 1-[7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidin-3-yl]ethanone;tert-butyl 5-fluoro-3-iodopyrrolo[2,3-b]pyridine-1-carboxylate;bis(tert-butyl 5-fluoro-3-trimethylstannylpyrrolo[2,3-b]pyridine-1-carboxylate);ethyl 7-[benzyl(methyl)amino]-5-[5-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(5-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-fluoro-3-iodo-1H-pyrrolo[2,3-b]pyridine

1-[7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidin-3-yl]ethanone;tert-butyl 5-fluoro-3-iodopyrrolo[2,3-b]pyridine-1-carboxylate;bis(tert-butyl 5-fluoro-3-trimethylstannylpyrrolo[2,3-b]pyridine-1-carboxylate);ethyl 7-[benzyl(methyl)amino]-5-[5-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(5-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-fluoro-3-iodo-1H-pyrrolo[2,3-b]pyridine (PubChem CID 157406387) has the molecular formula C145H150ClF7I2N30O15Sn2 and a molecular weight of 3212.66 g/mol. Its IUPAC name is 1-[7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidin-3-yl]ethanone;tert-butyl 5-fluoro-3-iodopyrrolo[2,3-b]pyridine-1-carboxylate;bis(tert-butyl 5-fluoro-3-trimethylstannylpyrrolo[2,3-b]pyridine-1-carboxylate);ethyl 7-[benzyl(methyl)amino]-5-[5-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(5-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-fluoro-3-iodo-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

• Compound Name: 1-[7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidin-3-yl]ethanone;tert-butyl 5-fluoro-3-iodopyrrolo[2,3-b]pyridine-1-carboxylate;bis(tert-butyl 5-fluoro-3-trimethylstannylpyrrolo[2,3-b]pyridine-1-carboxylate);ethyl 7-[benzyl(methyl)amino]-5-[5-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(5-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-fluoro-3-iodo-1H-pyrrolo[2,3-b]pyridine
• PubChem CID: 157406387
• Molecular Formula: C145H150ClF7I2N30O15Sn2
• Molecular Weight: 3212.66 g/mol
• Exact Mass: 3212.76
• IUPAC Name: 1-[7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidin-3-yl]ethanone;tert-butyl 5-fluoro-3-iodopyrrolo[2,3-b]pyridine-1-carboxylate;bis(tert-butyl 5-fluoro-3-trimethylstannylpyrrolo[2,3-b]pyridine-1-carboxylate);ethyl 7-[benzyl(methyl)amino]-5-[5-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(5-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-fluoro-3-iodo-1H-pyrrolo[2,3-b]pyridine
• SMILES: CC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(Cl)nc12.CC(C)(C)OC(=O)n1cc(I)c2cc(F)cnc21.CC(C)(C)OC(=O)n1cc([Sn](C)(C)C)c2cc(F)cnc21.CC(C)(C)OC(=O)n1cc([Sn](C)(C)C)c2cc(F)cnc21.CCOC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(-c3c[nH]c4ncc(F)cc34)nc12.CCOC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(-c3cn(C(=O)OC(C)(C)C)c4ncc(F)cc34)nc12.CCOC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(-c3cn(C(C)C)c4ncc(F)cc34)nc12.Fc1cnc2[nH]cc(I)c2c1
• InChI: InChI=1S/C29H29FN6O4.C27H27FN6O2.C24H21FN6O2.C16H15ClN4O.C12H12FIN2O2.2C12H12FN2O2.C7H4FIN2.6CH3.2Sn/c1-6-39-27(37)21-15-32-36-24(34(5)16-18-10-8-7-9-11-18)13-23(33-26(21)36)22-17-35(28(38)40-29(2,3)4)25-20(22)12-19(30)14-31-25;1-5-36-27(35)21-14-30-34-24(32(4)15-18-9-7-6-8-10-18)12-23(31-26(21)34)22-16-33(17(2)3)25-20(22)11-19(28)13-29-25;1-3-33-24(32)19-13-28-31-21(30(2)14-15-7-5-4-6-8-15)10-20(29-23(19)31)18-12-27-22-17(18)9-16(25)11-26-22;1-11(22)13-9-18-21-15(8-14(17)19-16(13)21)20(2)10-12-6-4-3-5-7-12;1-12(2,3)18-11(17)16-6-9(14)8-4-7(13)5-15-10(8)16;2*1-12(2,3)17-11(16)15-5-4-8-6-9(13)7-14-10(8)15;8-4-1-5-6(9)3-11-7(5)10-2-4;;;;;;;;/h7-15,17H,6,16H2,1-5H3;6-14,16-17H,5,15H2,1-4H3;4-13H,3,14H2,1-2H3,(H,26,27);3-9H,10H2,1-2H3;4-6H,1-3H3;2*5-7H,1-3H3;1-3H,(H,10,11);6*1H3
• InChIKey: BNTLDGBWAZAXPW-UHFFFAOYSA-N
• XLogP: 31.08
• TPSA: 481.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 43
• Rotatable Bonds: 25
• Heavy Atoms: 202
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3212.66
LogP ≤ 5	31.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	43

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 1-[7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidin-3-yl]ethanone;tert-butyl 5-fluoro-3-iodopyrrolo[2,3-b]pyridine-1-carboxylate;bis(tert-butyl 5-fluoro-3-trimethylstannylpyrrolo[2,3-b]pyridine-1-carboxylate);ethyl 7-[benzyl(methyl)amino]-5-[5-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(5-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-fluoro-3-iodo-1H-pyrrolo[2,3-b]pyridine?

The IUPAC name of 1-[7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidin-3-yl]ethanone;tert-butyl 5-fluoro-3-iodopyrrolo[2,3-b]pyridine-1-carboxylate;bis(tert-butyl 5-fluoro-3-trimethylstannylpyrrolo[2,3-b]pyridine-1-carboxylate);ethyl 7-[benzyl(methyl)amino]-5-[5-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(5-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-fluoro-3-iodo-1H-pyrrolo[2,3-b]pyridine (CID 157406387) is 1-[7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidin-3-yl]ethanone;tert-butyl 5-fluoro-3-iodopyrrolo[2,3-b]pyridine-1-carboxylate;bis(tert-butyl 5-fluoro-3-trimethylstannylpyrrolo[2,3-b]pyridine-1-carboxylate);ethyl 7-[benzyl(methyl)amino]-5-[5-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(5-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-fluoro-3-iodo-1H-pyrrolo[2,3-b]pyridine.

What is the SMILES notation for 1-[7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidin-3-yl]ethanone;tert-butyl 5-fluoro-3-iodopyrrolo[2,3-b]pyridine-1-carboxylate;bis(tert-butyl 5-fluoro-3-trimethylstannylpyrrolo[2,3-b]pyridine-1-carboxylate);ethyl 7-[benzyl(methyl)amino]-5-[5-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(5-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-fluoro-3-iodo-1H-pyrrolo[2,3-b]pyridine?

The canonical SMILES for 1-[7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidin-3-yl]ethanone;tert-butyl 5-fluoro-3-iodopyrrolo[2,3-b]pyridine-1-carboxylate;bis(tert-butyl 5-fluoro-3-trimethylstannylpyrrolo[2,3-b]pyridine-1-carboxylate);ethyl 7-[benzyl(methyl)amino]-5-[5-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(5-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-fluoro-3-iodo-1H-pyrrolo[2,3-b]pyridine is CC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(Cl)nc12.CC(C)(C)OC(=O)n1cc(I)c2cc(F)cnc21.CC(C)(C)OC(=O)n1cc([Sn](C)(C)C)c2cc(F)cnc21.CC(C)(C)OC(=O)n1cc([Sn](C)(C)C)c2cc(F)cnc21.CCOC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(-c3c[nH]c4ncc(F)cc34)nc12.CCOC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(-c3cn(C(=O)OC(C)(C)C)c4ncc(F)cc34)nc12.CCOC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(-c3cn(C(C)C)c4ncc(F)cc34)nc12.Fc1cnc2[nH]cc(I)c2c1.

What is the InChIKey of 1-[7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidin-3-yl]ethanone;tert-butyl 5-fluoro-3-iodopyrrolo[2,3-b]pyridine-1-carboxylate;bis(tert-butyl 5-fluoro-3-trimethylstannylpyrrolo[2,3-b]pyridine-1-carboxylate);ethyl 7-[benzyl(methyl)amino]-5-[5-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(5-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-fluoro-3-iodo-1H-pyrrolo[2,3-b]pyridine?

The InChIKey is BNTLDGBWAZAXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29FN6O4.C27H27FN6O2.C24H21FN6O2.C16H15ClN4O.C12H12FIN2O2.2C12H12FN2O2.C7H4FIN2.6CH3.2Sn/c1-6-39-27(37)21-15-32-36-24(34(5)16-18-10-8-7-9-11-18)13-23(33-26(21)36)22-17-35(28(38)40-29(2,3)4)25-20(22)12-19(30)14-31-25;1-5-36-27(35)21-14-30-34-24(32(4)15-18-9-7-6-8-10-18)12-23(31-26(21)34)22-16-33(17(2)3)25-20(22)11-19(28)13-29-25;1-3-33-24(32)19-13-28-31-21(30(2)14-15-7-5-4-6-8-15)10-20(29-23(19)31)18-12-27-22-17(18)9-16(25)11-26-22;1-11(22)13-9-18-21-15(8-14(17)19-16(13)21)20(2)10-12-6-4-3-5-7-12;1-12(2,3)18-11(17)16-6-9(14)8-4-7(13)5-15-10(8)16;2*1-12(2,3)17-11(16)15-5-4-8-6-9(13)7-14-10(8)15;8-4-1-5-6(9)3-11-7(5)10-2-4;;;;;;;;/h7-15,17H,6,16H2,1-5H3;6-14,16-17H,5,15H2,1-4H3;4-13H,3,14H2,1-2H3,(H,26,27);3-9H,10H2,1-2H3;4-6H,1-3H3;2*5-7H,1-3H3;1-3H,(H,10,11);6*1H3;;.

What are the key properties of 1-[7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidin-3-yl]ethanone;tert-butyl 5-fluoro-3-iodopyrrolo[2,3-b]pyridine-1-carboxylate;bis(tert-butyl 5-fluoro-3-trimethylstannylpyrrolo[2,3-b]pyridine-1-carboxylate);ethyl 7-[benzyl(methyl)amino]-5-[5-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(5-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-fluoro-3-iodo-1H-pyrrolo[2,3-b]pyridine?

1-[7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidin-3-yl]ethanone;tert-butyl 5-fluoro-3-iodopyrrolo[2,3-b]pyridine-1-carboxylate;bis(tert-butyl 5-fluoro-3-trimethylstannylpyrrolo[2,3-b]pyridine-1-carboxylate);ethyl 7-[benzyl(methyl)amino]-5-[5-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(5-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-fluoro-3-iodo-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 3212.66 g/mol, XLogP of 31.08, 25 rotatable bonds, 2 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidin-3-yl]ethanone;tert-butyl 5-fluoro-3-iodopyrrolo[2,3-b]pyridine-1-carboxylate;bis(tert-butyl 5-fluoro-3-trimethylstannylpyrrolo[2,3-b]pyridine-1-carboxylate);ethyl 7-[benzyl(methyl)amino]-5-[5-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(5-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-fluoro-3-iodo-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 157406387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).