7-[benzyl(methyl)amino]-5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;tert-butyl N-(3-acetyl-5-chloropyrazolo[1,5-a]pyrimidin-7-yl)-N-methylcarbamate;tert-butyl 5-chloro-3-trimethylstannylpyrrolo[2,3-b]pyridine-1-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[5-chloro-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-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;2-iodopropane

C137H145Cl6IN30O15Sn — CID 157178609

About 7-[benzyl(methyl)amino]-5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;tert-butyl N-(3-acetyl-5-chloropyrazolo[1,5-a]pyrimidin-7-yl)-N-methylcarbamate;tert-butyl 5-chloro-3-trimethylstannylpyrrolo[2,3-b]pyridine-1-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[5-chloro-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-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;2-iodopropane

7-[benzyl(methyl)amino]-5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;tert-butyl N-(3-acetyl-5-chloropyrazolo[1,5-a]pyrimidin-7-yl)-N-methylcarbamate;tert-butyl 5-chloro-3-trimethylstannylpyrrolo[2,3-b]pyridine-1-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[5-chloro-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-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;2-iodopropane (PubChem CID 157178609) has the molecular formula C137H145Cl6IN30O15Sn and a molecular weight of 2910.19 g/mol. Its IUPAC name is 7-[benzyl(methyl)amino]-5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;tert-butyl N-(3-acetyl-5-chloropyrazolo[1,5-a]pyrimidin-7-yl)-N-methylcarbamate;tert-butyl 5-chloro-3-trimethylstannylpyrrolo[2,3-b]pyridine-1-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[5-chloro-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-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;2-iodopropane.

Molecular Properties

• Compound Name: 7-[benzyl(methyl)amino]-5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;tert-butyl N-(3-acetyl-5-chloropyrazolo[1,5-a]pyrimidin-7-yl)-N-methylcarbamate;tert-butyl 5-chloro-3-trimethylstannylpyrrolo[2,3-b]pyridine-1-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[5-chloro-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-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;2-iodopropane
• PubChem CID: 157178609
• Molecular Formula: C137H145Cl6IN30O15Sn
• Molecular Weight: 2910.19 g/mol
• Exact Mass: 2906.77
• IUPAC Name: 7-[benzyl(methyl)amino]-5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;tert-butyl N-(3-acetyl-5-chloropyrazolo[1,5-a]pyrimidin-7-yl)-N-methylcarbamate;tert-butyl 5-chloro-3-trimethylstannylpyrrolo[2,3-b]pyridine-1-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[5-chloro-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-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;2-iodopropane
• SMILES: CC(=O)c1cnn2c(N(C)C(=O)OC(C)(C)C)cc(Cl)nc12.CC(C)(C)OC(=O)n1cc([Sn](C)(C)C)c2cc(Cl)cnc21.CC(C)I.CC(C)n1cc(-c2cc(N(C)Cc3ccccc3)n3ncc(C(=O)O)c3n2)c2cc(Cl)cnc21.CCOC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(-c3c[nH]c4ncc(Cl)cc34)nc12.CCOC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(-c3cn(C(=O)OC(C)(C)C)c4ncc(Cl)cc34)nc12.CCOC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(-c3cn(C(C)C)c4ncc(Cl)cc34)nc12
• InChI: InChI=1S/C29H29ClN6O4.C27H27ClN6O2.C25H23ClN6O2.C24H21ClN6O2.C14H17ClN4O3.C12H12ClN2O2.C3H7I.3CH3.Sn/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;1-15(2)31-14-20(18-9-17(26)11-27-23(18)31)21-10-22(30(3)13-16-7-5-4-6-8-16)32-24(29-21)19(12-28-32)25(33)34;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;1-8(20)9-7-16-19-11(6-10(15)17-12(9)19)18(5)13(21)22-14(2,3)4;1-12(2,3)17-11(16)15-5-4-8-6-9(13)7-14-10(8)15;1-3(2)4;;;;/h7-15,17H,6,16H2,1-5H3;6-14,16-17H,5,15H2,1-4H3;4-12,14-15H,13H2,1-3H3,(H,33,34);4-13H,3,14H2,1-2H3,(H,26,27);6-7H,1-5H3;5-7H,1-3H3;3H,1-2H3;3*1H3
• InChIKey: AOHSDUVZTFRDFA-UHFFFAOYSA-N
• XLogP: 30.65
• TPSA: 479.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 42
• Rotatable Bonds: 28
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2910.19
LogP ≤ 5	30.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-[benzyl(methyl)amino]-5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;tert-butyl N-(3-acetyl-5-chloropyrazolo[1,5-a]pyrimidin-7-yl)-N-methylcarbamate;tert-butyl 5-chloro-3-trimethylstannylpyrrolo[2,3-b]pyridine-1-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[5-chloro-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-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;2-iodopropane?

The IUPAC name of 7-[benzyl(methyl)amino]-5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;tert-butyl N-(3-acetyl-5-chloropyrazolo[1,5-a]pyrimidin-7-yl)-N-methylcarbamate;tert-butyl 5-chloro-3-trimethylstannylpyrrolo[2,3-b]pyridine-1-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[5-chloro-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-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;2-iodopropane (CID 157178609) is 7-[benzyl(methyl)amino]-5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;tert-butyl N-(3-acetyl-5-chloropyrazolo[1,5-a]pyrimidin-7-yl)-N-methylcarbamate;tert-butyl 5-chloro-3-trimethylstannylpyrrolo[2,3-b]pyridine-1-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[5-chloro-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-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;2-iodopropane.

What is the SMILES notation for 7-[benzyl(methyl)amino]-5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;tert-butyl N-(3-acetyl-5-chloropyrazolo[1,5-a]pyrimidin-7-yl)-N-methylcarbamate;tert-butyl 5-chloro-3-trimethylstannylpyrrolo[2,3-b]pyridine-1-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[5-chloro-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-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;2-iodopropane?

The canonical SMILES for 7-[benzyl(methyl)amino]-5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;tert-butyl N-(3-acetyl-5-chloropyrazolo[1,5-a]pyrimidin-7-yl)-N-methylcarbamate;tert-butyl 5-chloro-3-trimethylstannylpyrrolo[2,3-b]pyridine-1-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[5-chloro-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-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;2-iodopropane is CC(=O)c1cnn2c(N(C)C(=O)OC(C)(C)C)cc(Cl)nc12.CC(C)(C)OC(=O)n1cc([Sn](C)(C)C)c2cc(Cl)cnc21.CC(C)I.CC(C)n1cc(-c2cc(N(C)Cc3ccccc3)n3ncc(C(=O)O)c3n2)c2cc(Cl)cnc21.CCOC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(-c3c[nH]c4ncc(Cl)cc34)nc12.CCOC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(-c3cn(C(=O)OC(C)(C)C)c4ncc(Cl)cc34)nc12.CCOC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(-c3cn(C(C)C)c4ncc(Cl)cc34)nc12.

What is the InChIKey of 7-[benzyl(methyl)amino]-5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;tert-butyl N-(3-acetyl-5-chloropyrazolo[1,5-a]pyrimidin-7-yl)-N-methylcarbamate;tert-butyl 5-chloro-3-trimethylstannylpyrrolo[2,3-b]pyridine-1-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[5-chloro-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-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;2-iodopropane?

The InChIKey is AOHSDUVZTFRDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29ClN6O4.C27H27ClN6O2.C25H23ClN6O2.C24H21ClN6O2.C14H17ClN4O3.C12H12ClN2O2.C3H7I.3CH3.Sn/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;1-15(2)31-14-20(18-9-17(26)11-27-23(18)31)21-10-22(30(3)13-16-7-5-4-6-8-16)32-24(29-21)19(12-28-32)25(33)34;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;1-8(20)9-7-16-19-11(6-10(15)17-12(9)19)18(5)13(21)22-14(2,3)4;1-12(2,3)17-11(16)15-5-4-8-6-9(13)7-14-10(8)15;1-3(2)4;;;;/h7-15,17H,6,16H2,1-5H3;6-14,16-17H,5,15H2,1-4H3;4-12,14-15H,13H2,1-3H3,(H,33,34);4-13H,3,14H2,1-2H3,(H,26,27);6-7H,1-5H3;5-7H,1-3H3;3H,1-2H3;3*1H3;.

What are the key properties of 7-[benzyl(methyl)amino]-5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;tert-butyl N-(3-acetyl-5-chloropyrazolo[1,5-a]pyrimidin-7-yl)-N-methylcarbamate;tert-butyl 5-chloro-3-trimethylstannylpyrrolo[2,3-b]pyridine-1-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[5-chloro-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-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;2-iodopropane?

7-[benzyl(methyl)amino]-5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;tert-butyl N-(3-acetyl-5-chloropyrazolo[1,5-a]pyrimidin-7-yl)-N-methylcarbamate;tert-butyl 5-chloro-3-trimethylstannylpyrrolo[2,3-b]pyridine-1-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[5-chloro-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-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;2-iodopropane has a molecular weight of 2910.19 g/mol, XLogP of 30.65, 28 rotatable bonds, 2 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[benzyl(methyl)amino]-5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;tert-butyl N-(3-acetyl-5-chloropyrazolo[1,5-a]pyrimidin-7-yl)-N-methylcarbamate;tert-butyl 5-chloro-3-trimethylstannylpyrrolo[2,3-b]pyridine-1-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[5-chloro-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-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;2-iodopropane is sourced from PubChem (CID 157178609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).