6-bromo-1-cyclopropylsulfonylpyrazolo[4,5-b]pyridine;6-bromo-2-cyclopropylsulfonylpyrazolo[4,3-b]pyridine;6-bromo-1H-pyrazolo[4,5-b]pyridine;cyclopropanesulfonyl chloride;N-[4-(1-cyclopropylsulfonylpyrazolo[4,5-b]pyridin-6-yl)-2-pyridinyl]acetamide;N-[4-(2-cyclopropylsulfonylpyrazolo[4,3-b]pyridin-6-yl)-2-pyridinyl]acetamide;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide

C72H74BBr3ClN21O15S5 — CID 161259574

About 6-bromo-1-cyclopropylsulfonylpyrazolo[4,5-b]pyridine;6-bromo-2-cyclopropylsulfonylpyrazolo[4,3-b]pyridine;6-bromo-1H-pyrazolo[4,5-b]pyridine;cyclopropanesulfonyl chloride;N-[4-(1-cyclopropylsulfonylpyrazolo[4,5-b]pyridin-6-yl)-2-pyridinyl]acetamide;N-[4-(2-cyclopropylsulfonylpyrazolo[4,3-b]pyridin-6-yl)-2-pyridinyl]acetamide;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide

6-bromo-1-cyclopropylsulfonylpyrazolo[4,5-b]pyridine;6-bromo-2-cyclopropylsulfonylpyrazolo[4,3-b]pyridine;6-bromo-1H-pyrazolo[4,5-b]pyridine;cyclopropanesulfonyl chloride;N-[4-(1-cyclopropylsulfonylpyrazolo[4,5-b]pyridin-6-yl)-2-pyridinyl]acetamide;N-[4-(2-cyclopropylsulfonylpyrazolo[4,3-b]pyridin-6-yl)-2-pyridinyl]acetamide;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide (PubChem CID 161259574) has the molecular formula C72H74BBr3ClN21O15S5 and a molecular weight of 1919.83 g/mol. Its IUPAC name is 6-bromo-1-cyclopropylsulfonylpyrazolo[4,5-b]pyridine;6-bromo-2-cyclopropylsulfonylpyrazolo[4,3-b]pyridine;6-bromo-1H-pyrazolo[4,5-b]pyridine;cyclopropanesulfonyl chloride;N-[4-(1-cyclopropylsulfonylpyrazolo[4,5-b]pyridin-6-yl)-2-pyridinyl]acetamide;N-[4-(2-cyclopropylsulfonylpyrazolo[4,3-b]pyridin-6-yl)-2-pyridinyl]acetamide;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide.

Molecular Properties

• Compound Name: 6-bromo-1-cyclopropylsulfonylpyrazolo[4,5-b]pyridine;6-bromo-2-cyclopropylsulfonylpyrazolo[4,3-b]pyridine;6-bromo-1H-pyrazolo[4,5-b]pyridine;cyclopropanesulfonyl chloride;N-[4-(1-cyclopropylsulfonylpyrazolo[4,5-b]pyridin-6-yl)-2-pyridinyl]acetamide;N-[4-(2-cyclopropylsulfonylpyrazolo[4,3-b]pyridin-6-yl)-2-pyridinyl]acetamide;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide
• PubChem CID: 161259574
• Molecular Formula: C72H74BBr3ClN21O15S5
• Molecular Weight: 1919.83 g/mol
• Exact Mass: 1915.16
• IUPAC Name: 6-bromo-1-cyclopropylsulfonylpyrazolo[4,5-b]pyridine;6-bromo-2-cyclopropylsulfonylpyrazolo[4,3-b]pyridine;6-bromo-1H-pyrazolo[4,5-b]pyridine;cyclopropanesulfonyl chloride;N-[4-(1-cyclopropylsulfonylpyrazolo[4,5-b]pyridin-6-yl)-2-pyridinyl]acetamide;N-[4-(2-cyclopropylsulfonylpyrazolo[4,3-b]pyridin-6-yl)-2-pyridinyl]acetamide;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide
• SMILES: Brc1cnc2cn[nH]c2c1.CC(=O)Nc1cc(-c2cnc3cn(S(=O)(=O)C4CC4)nc3c2)ccn1.CC(=O)Nc1cc(-c2cnc3cnn(S(=O)(=O)C4CC4)c3c2)ccn1.CC(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1.O=S(=O)(C1CC1)n1cc2ncc(Br)cc2n1.O=S(=O)(C1CC1)n1ncc2ncc(Br)cc21.O=S(=O)(Cl)C1CC1
• InChI: InChI=1S/2C16H15N5O3S.C13H19BN2O3.2C9H8BrN3O2S.C6H4BrN3.C3H5ClO2S/c1-10(22)20-16-7-11(4-5-17-16)12-6-15-14(18-8-12)9-19-21(15)25(23,24)13-2-3-13;1-10(22)19-16-7-11(4-5-17-16)12-6-14-15(18-8-12)9-21(20-14)25(23,24)13-2-3-13;1-9(17)16-11-8-10(6-7-15-11)14-18-12(2,3)13(4,5)19-14;10-6-3-9-8(11-4-6)5-12-13(9)16(14,15)7-1-2-7;10-6-3-8-9(11-4-6)5-13(12-8)16(14,15)7-1-2-7;7-4-1-5-6(8-2-4)3-9-10-5;4-7(5,6)3-1-2-3/h4-9,13H,2-3H2,1H3,(H,17,20,22);4-9,13H,2-3H2,1H3,(H,17,19,22);6-8H,1-5H3,(H,15,16,17);2*3-5,7H,1-2H2;1-3H,(H,9,10);3H,1-2H2
• InChIKey: VCJJOYGHBCUVFR-UHFFFAOYSA-N
• XLogP: 10.43
• TPSA: 479.54 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 32
• Rotatable Bonds: 15
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1919.83
LogP ≤ 5	10.43
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-cyclopropylsulfonylpyrazolo[4,5-b]pyridine;6-bromo-2-cyclopropylsulfonylpyrazolo[4,3-b]pyridine;6-bromo-1H-pyrazolo[4,5-b]pyridine;cyclopropanesulfonyl chloride;N-[4-(1-cyclopropylsulfonylpyrazolo[4,5-b]pyridin-6-yl)-2-pyridinyl]acetamide;N-[4-(2-cyclopropylsulfonylpyrazolo[4,3-b]pyridin-6-yl)-2-pyridinyl]acetamide;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide?

The IUPAC name of 6-bromo-1-cyclopropylsulfonylpyrazolo[4,5-b]pyridine;6-bromo-2-cyclopropylsulfonylpyrazolo[4,3-b]pyridine;6-bromo-1H-pyrazolo[4,5-b]pyridine;cyclopropanesulfonyl chloride;N-[4-(1-cyclopropylsulfonylpyrazolo[4,5-b]pyridin-6-yl)-2-pyridinyl]acetamide;N-[4-(2-cyclopropylsulfonylpyrazolo[4,3-b]pyridin-6-yl)-2-pyridinyl]acetamide;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide (CID 161259574) is 6-bromo-1-cyclopropylsulfonylpyrazolo[4,5-b]pyridine;6-bromo-2-cyclopropylsulfonylpyrazolo[4,3-b]pyridine;6-bromo-1H-pyrazolo[4,5-b]pyridine;cyclopropanesulfonyl chloride;N-[4-(1-cyclopropylsulfonylpyrazolo[4,5-b]pyridin-6-yl)-2-pyridinyl]acetamide;N-[4-(2-cyclopropylsulfonylpyrazolo[4,3-b]pyridin-6-yl)-2-pyridinyl]acetamide;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide.

What is the SMILES notation for 6-bromo-1-cyclopropylsulfonylpyrazolo[4,5-b]pyridine;6-bromo-2-cyclopropylsulfonylpyrazolo[4,3-b]pyridine;6-bromo-1H-pyrazolo[4,5-b]pyridine;cyclopropanesulfonyl chloride;N-[4-(1-cyclopropylsulfonylpyrazolo[4,5-b]pyridin-6-yl)-2-pyridinyl]acetamide;N-[4-(2-cyclopropylsulfonylpyrazolo[4,3-b]pyridin-6-yl)-2-pyridinyl]acetamide;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide?

The canonical SMILES for 6-bromo-1-cyclopropylsulfonylpyrazolo[4,5-b]pyridine;6-bromo-2-cyclopropylsulfonylpyrazolo[4,3-b]pyridine;6-bromo-1H-pyrazolo[4,5-b]pyridine;cyclopropanesulfonyl chloride;N-[4-(1-cyclopropylsulfonylpyrazolo[4,5-b]pyridin-6-yl)-2-pyridinyl]acetamide;N-[4-(2-cyclopropylsulfonylpyrazolo[4,3-b]pyridin-6-yl)-2-pyridinyl]acetamide;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide is Brc1cnc2cn[nH]c2c1.CC(=O)Nc1cc(-c2cnc3cn(S(=O)(=O)C4CC4)nc3c2)ccn1.CC(=O)Nc1cc(-c2cnc3cnn(S(=O)(=O)C4CC4)c3c2)ccn1.CC(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1.O=S(=O)(C1CC1)n1cc2ncc(Br)cc2n1.O=S(=O)(C1CC1)n1ncc2ncc(Br)cc21.O=S(=O)(Cl)C1CC1.

What is the InChIKey of 6-bromo-1-cyclopropylsulfonylpyrazolo[4,5-b]pyridine;6-bromo-2-cyclopropylsulfonylpyrazolo[4,3-b]pyridine;6-bromo-1H-pyrazolo[4,5-b]pyridine;cyclopropanesulfonyl chloride;N-[4-(1-cyclopropylsulfonylpyrazolo[4,5-b]pyridin-6-yl)-2-pyridinyl]acetamide;N-[4-(2-cyclopropylsulfonylpyrazolo[4,3-b]pyridin-6-yl)-2-pyridinyl]acetamide;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide?

The InChIKey is VCJJOYGHBCUVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H15N5O3S.C13H19BN2O3.2C9H8BrN3O2S.C6H4BrN3.C3H5ClO2S/c1-10(22)20-16-7-11(4-5-17-16)12-6-15-14(18-8-12)9-19-21(15)25(23,24)13-2-3-13;1-10(22)19-16-7-11(4-5-17-16)12-6-14-15(18-8-12)9-21(20-14)25(23,24)13-2-3-13;1-9(17)16-11-8-10(6-7-15-11)14-18-12(2,3)13(4,5)19-14;10-6-3-9-8(11-4-6)5-12-13(9)16(14,15)7-1-2-7;10-6-3-8-9(11-4-6)5-13(12-8)16(14,15)7-1-2-7;7-4-1-5-6(8-2-4)3-9-10-5;4-7(5,6)3-1-2-3/h4-9,13H,2-3H2,1H3,(H,17,20,22);4-9,13H,2-3H2,1H3,(H,17,19,22);6-8H,1-5H3,(H,15,16,17);2*3-5,7H,1-2H2;1-3H,(H,9,10);3H,1-2H2.

What are the key properties of 6-bromo-1-cyclopropylsulfonylpyrazolo[4,5-b]pyridine;6-bromo-2-cyclopropylsulfonylpyrazolo[4,3-b]pyridine;6-bromo-1H-pyrazolo[4,5-b]pyridine;cyclopropanesulfonyl chloride;N-[4-(1-cyclopropylsulfonylpyrazolo[4,5-b]pyridin-6-yl)-2-pyridinyl]acetamide;N-[4-(2-cyclopropylsulfonylpyrazolo[4,3-b]pyridin-6-yl)-2-pyridinyl]acetamide;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide?

6-bromo-1-cyclopropylsulfonylpyrazolo[4,5-b]pyridine;6-bromo-2-cyclopropylsulfonylpyrazolo[4,3-b]pyridine;6-bromo-1H-pyrazolo[4,5-b]pyridine;cyclopropanesulfonyl chloride;N-[4-(1-cyclopropylsulfonylpyrazolo[4,5-b]pyridin-6-yl)-2-pyridinyl]acetamide;N-[4-(2-cyclopropylsulfonylpyrazolo[4,3-b]pyridin-6-yl)-2-pyridinyl]acetamide;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide has a molecular weight of 1919.83 g/mol, XLogP of 10.43, 15 rotatable bonds, 4 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-1-cyclopropylsulfonylpyrazolo[4,5-b]pyridine;6-bromo-2-cyclopropylsulfonylpyrazolo[4,3-b]pyridine;6-bromo-1H-pyrazolo[4,5-b]pyridine;cyclopropanesulfonyl chloride;N-[4-(1-cyclopropylsulfonylpyrazolo[4,5-b]pyridin-6-yl)-2-pyridinyl]acetamide;N-[4-(2-cyclopropylsulfonylpyrazolo[4,3-b]pyridin-6-yl)-2-pyridinyl]acetamide;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide is sourced from PubChem (CID 161259574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).