7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;3-bromo-1-propan-2-ylpyrrolo[2,3-b]pyridine;3-bromo-1H-pyrrolo[2,3-b]pyridine;2-methylpropane;bis(1-propan-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine);1H-pyrrolo[2,3-b]pyridine

C100H117B2Br2ClN22O6 — CID 167577862

About 7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;3-bromo-1-propan-2-ylpyrrolo[2,3-b]pyridine;3-bromo-1H-pyrrolo[2,3-b]pyridine;2-methylpropane;bis(1-propan-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine);1H-pyrrolo[2,3-b]pyridine

7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;3-bromo-1-propan-2-ylpyrrolo[2,3-b]pyridine;3-bromo-1H-pyrrolo[2,3-b]pyridine;2-methylpropane;bis(1-propan-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine);1H-pyrrolo[2,3-b]pyridine (PubChem CID 167577862) has the molecular formula C100H117B2Br2ClN22O6 and a molecular weight of 1940.07 g/mol. Its IUPAC name is 7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;3-bromo-1-propan-2-ylpyrrolo[2,3-b]pyridine;3-bromo-1H-pyrrolo[2,3-b]pyridine;2-methylpropane;bis(1-propan-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine);1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

• Compound Name: 7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;3-bromo-1-propan-2-ylpyrrolo[2,3-b]pyridine;3-bromo-1H-pyrrolo[2,3-b]pyridine;2-methylpropane;bis(1-propan-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine);1H-pyrrolo[2,3-b]pyridine
• PubChem CID: 167577862
• Molecular Formula: C100H117B2Br2ClN22O6
• Molecular Weight: 1940.07 g/mol
• Exact Mass: 1936.78
• IUPAC Name: 7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;3-bromo-1-propan-2-ylpyrrolo[2,3-b]pyridine;3-bromo-1H-pyrrolo[2,3-b]pyridine;2-methylpropane;bis(1-propan-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine);1H-pyrrolo[2,3-b]pyridine
• SMILES: Brc1c[nH]c2ncccc12.CC(C)C.CC(C)n1cc(-c2cc(N(C)Cc3ccccc3)n3ncc(C(N)=O)c3n2)c2cccnc21.CC(C)n1cc(B2OC(C)(C)C(C)(C)O2)c2cccnc21.CC(C)n1cc(B2OC(C)(C)C(C)(C)O2)c2cccnc21.CC(C)n1cc(Br)c2cccnc21.CN(Cc1ccccc1)c1cc(Cl)nc2c(C(N)=O)cnn12.c1cnc2[nH]ccc2c1
• InChI: InChI=1S/C25H25N7O.2C16H23BN2O2.C15H14ClN5O.C10H11BrN2.C7H5BrN2.C7H6N2.C4H10/c1-16(2)31-15-20(18-10-7-11-27-24(18)31)21-12-22(30(3)14-17-8-5-4-6-9-17)32-25(29-21)19(13-28-32)23(26)33;2*1-11(2)19-10-13(12-8-7-9-18-14(12)19)17-20-15(3,4)16(5,6)21-17;1-20(9-10-5-3-2-4-6-10)13-7-12(16)19-15-11(14(17)22)8-18-21(13)15;1-7(2)13-6-9(11)8-4-3-5-12-10(8)13;8-6-4-10-7-5(6)2-1-3-9-7;1-2-6-3-5-9-7(6)8-4-1;1-4(2)3/h4-13,15-16H,14H2,1-3H3,(H2,26,33);2*7-11H,1-6H3;2-8H,9H2,1H3,(H2,17,22);3-7H,1-2H3;1-4H,(H,9,10);1-5H,(H,8,9);4H,1-3H3
• InChIKey: GTXATBCSYVMDRP-UHFFFAOYSA-N
• XLogP: 20.94
• TPSA: 318.60 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 15
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1940.07
LogP ≤ 5	20.94
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;3-bromo-1-propan-2-ylpyrrolo[2,3-b]pyridine;3-bromo-1H-pyrrolo[2,3-b]pyridine;2-methylpropane;bis(1-propan-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine);1H-pyrrolo[2,3-b]pyridine?

The IUPAC name of 7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;3-bromo-1-propan-2-ylpyrrolo[2,3-b]pyridine;3-bromo-1H-pyrrolo[2,3-b]pyridine;2-methylpropane;bis(1-propan-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine);1H-pyrrolo[2,3-b]pyridine (CID 167577862) is 7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;3-bromo-1-propan-2-ylpyrrolo[2,3-b]pyridine;3-bromo-1H-pyrrolo[2,3-b]pyridine;2-methylpropane;bis(1-propan-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine);1H-pyrrolo[2,3-b]pyridine.

What is the SMILES notation for 7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;3-bromo-1-propan-2-ylpyrrolo[2,3-b]pyridine;3-bromo-1H-pyrrolo[2,3-b]pyridine;2-methylpropane;bis(1-propan-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine);1H-pyrrolo[2,3-b]pyridine?

The canonical SMILES for 7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;3-bromo-1-propan-2-ylpyrrolo[2,3-b]pyridine;3-bromo-1H-pyrrolo[2,3-b]pyridine;2-methylpropane;bis(1-propan-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine);1H-pyrrolo[2,3-b]pyridine is Brc1c[nH]c2ncccc12.CC(C)C.CC(C)n1cc(-c2cc(N(C)Cc3ccccc3)n3ncc(C(N)=O)c3n2)c2cccnc21.CC(C)n1cc(B2OC(C)(C)C(C)(C)O2)c2cccnc21.CC(C)n1cc(B2OC(C)(C)C(C)(C)O2)c2cccnc21.CC(C)n1cc(Br)c2cccnc21.CN(Cc1ccccc1)c1cc(Cl)nc2c(C(N)=O)cnn12.c1cnc2[nH]ccc2c1.

What is the InChIKey of 7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;3-bromo-1-propan-2-ylpyrrolo[2,3-b]pyridine;3-bromo-1H-pyrrolo[2,3-b]pyridine;2-methylpropane;bis(1-propan-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine);1H-pyrrolo[2,3-b]pyridine?

The InChIKey is GTXATBCSYVMDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O.2C16H23BN2O2.C15H14ClN5O.C10H11BrN2.C7H5BrN2.C7H6N2.C4H10/c1-16(2)31-15-20(18-10-7-11-27-24(18)31)21-12-22(30(3)14-17-8-5-4-6-9-17)32-25(29-21)19(13-28-32)23(26)33;2*1-11(2)19-10-13(12-8-7-9-18-14(12)19)17-20-15(3,4)16(5,6)21-17;1-20(9-10-5-3-2-4-6-10)13-7-12(16)19-15-11(14(17)22)8-18-21(13)15;1-7(2)13-6-9(11)8-4-3-5-12-10(8)13;8-6-4-10-7-5(6)2-1-3-9-7;1-2-6-3-5-9-7(6)8-4-1;1-4(2)3/h4-13,15-16H,14H2,1-3H3,(H2,26,33);2*7-11H,1-6H3;2-8H,9H2,1H3,(H2,17,22);3-7H,1-2H3;1-4H,(H,9,10);1-5H,(H,8,9);4H,1-3H3.

What are the key properties of 7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;3-bromo-1-propan-2-ylpyrrolo[2,3-b]pyridine;3-bromo-1H-pyrrolo[2,3-b]pyridine;2-methylpropane;bis(1-propan-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine);1H-pyrrolo[2,3-b]pyridine?

7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;3-bromo-1-propan-2-ylpyrrolo[2,3-b]pyridine;3-bromo-1H-pyrrolo[2,3-b]pyridine;2-methylpropane;bis(1-propan-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine);1H-pyrrolo[2,3-b]pyridine has a molecular weight of 1940.07 g/mol, XLogP of 20.94, 15 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;3-bromo-1-propan-2-ylpyrrolo[2,3-b]pyridine;3-bromo-1H-pyrrolo[2,3-b]pyridine;2-methylpropane;bis(1-propan-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine);1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 167577862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).