4-bromo-1-cyclopropylsulfonylpyrazolo[3,4-c]pyridine;4-bromo-2-cyclopropylsulfonylpyrazolo[3,4-c]pyridine;7-bromo-3H-pyrrolo[3,4-c]pyridine;cyclopropanesulfonyl chloride;N-[4-(1-cyclopropylsulfonylpyrazolo[5,4-c]pyridin-4-yl)-2-pyridinyl]acetamide;methane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide

C61H76BBr3ClN15O12S4 — CID 158637384

About 4-bromo-1-cyclopropylsulfonylpyrazolo[3,4-c]pyridine;4-bromo-2-cyclopropylsulfonylpyrazolo[3,4-c]pyridine;7-bromo-3H-pyrrolo[3,4-c]pyridine;cyclopropanesulfonyl chloride;N-[4-(1-cyclopropylsulfonylpyrazolo[5,4-c]pyridin-4-yl)-2-pyridinyl]acetamide;methane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide

4-bromo-1-cyclopropylsulfonylpyrazolo[3,4-c]pyridine;4-bromo-2-cyclopropylsulfonylpyrazolo[3,4-c]pyridine;7-bromo-3H-pyrrolo[3,4-c]pyridine;cyclopropanesulfonyl chloride;N-[4-(1-cyclopropylsulfonylpyrazolo[5,4-c]pyridin-4-yl)-2-pyridinyl]acetamide;methane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide (PubChem CID 158637384) has the molecular formula C61H76BBr3ClN15O12S4 and a molecular weight of 1625.62 g/mol. Its IUPAC name is 4-bromo-1-cyclopropylsulfonylpyrazolo[3,4-c]pyridine;4-bromo-2-cyclopropylsulfonylpyrazolo[3,4-c]pyridine;7-bromo-3H-pyrrolo[3,4-c]pyridine;cyclopropanesulfonyl chloride;N-[4-(1-cyclopropylsulfonylpyrazolo[5,4-c]pyridin-4-yl)-2-pyridinyl]acetamide;methane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide.

Molecular Properties

• Compound Name: 4-bromo-1-cyclopropylsulfonylpyrazolo[3,4-c]pyridine;4-bromo-2-cyclopropylsulfonylpyrazolo[3,4-c]pyridine;7-bromo-3H-pyrrolo[3,4-c]pyridine;cyclopropanesulfonyl chloride;N-[4-(1-cyclopropylsulfonylpyrazolo[5,4-c]pyridin-4-yl)-2-pyridinyl]acetamide;methane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide
• PubChem CID: 158637384
• Molecular Formula: C61H76BBr3ClN15O12S4
• Molecular Weight: 1625.62 g/mol
• Exact Mass: 1621.20
• IUPAC Name: 4-bromo-1-cyclopropylsulfonylpyrazolo[3,4-c]pyridine;4-bromo-2-cyclopropylsulfonylpyrazolo[3,4-c]pyridine;7-bromo-3H-pyrrolo[3,4-c]pyridine;cyclopropanesulfonyl chloride;N-[4-(1-cyclopropylsulfonylpyrazolo[5,4-c]pyridin-4-yl)-2-pyridinyl]acetamide;methane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide
• SMILES: Brc1cncc2c1C=NC2.C.C.C.C.CC(=O)Nc1cc(-c2cncc3c2cnn3S(=O)(=O)C2CC2)ccn1.CC(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1.O=S(=O)(C1CC1)n1cc2c(Br)cncc2n1.O=S(=O)(C1CC1)n1ncc2c(Br)cncc21.O=S(=O)(Cl)C1CC1
• InChI: InChI=1S/C16H15N5O3S.C13H19BN2O3.2C9H8BrN3O2S.C7H5BrN2.C3H5ClO2S.4CH4/c1-10(22)20-16-6-11(4-5-18-16)13-7-17-9-15-14(13)8-19-21(15)25(23,24)12-2-3-12;1-9(17)16-11-8-10(6-7-15-11)14-18-12(2,3)13(4,5)19-14;10-8-3-11-4-9-7(8)5-13(12-9)16(14,15)6-1-2-6;10-8-4-11-5-9-7(8)3-12-13(9)16(14,15)6-1-2-6;8-7-4-10-2-5-1-9-3-6(5)7;4-7(5,6)3-1-2-3;;;;/h4-9,12H,2-3H2,1H3,(H,18,20,22);6-8H,1-5H3,(H,15,16,17);2*3-6H,1-2H2;2-4H,1H2;3H,1-2H2;4*1H4
• InChIKey: HZYAQTJBHXKFMR-UHFFFAOYSA-N
• XLogP: 11.24
• TPSA: 356.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 25
• Rotatable Bonds: 11
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1625.62
LogP ≤ 5	11.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-cyclopropylsulfonylpyrazolo[3,4-c]pyridine;4-bromo-2-cyclopropylsulfonylpyrazolo[3,4-c]pyridine;7-bromo-3H-pyrrolo[3,4-c]pyridine;cyclopropanesulfonyl chloride;N-[4-(1-cyclopropylsulfonylpyrazolo[5,4-c]pyridin-4-yl)-2-pyridinyl]acetamide;methane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide?

The IUPAC name of 4-bromo-1-cyclopropylsulfonylpyrazolo[3,4-c]pyridine;4-bromo-2-cyclopropylsulfonylpyrazolo[3,4-c]pyridine;7-bromo-3H-pyrrolo[3,4-c]pyridine;cyclopropanesulfonyl chloride;N-[4-(1-cyclopropylsulfonylpyrazolo[5,4-c]pyridin-4-yl)-2-pyridinyl]acetamide;methane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide (CID 158637384) is 4-bromo-1-cyclopropylsulfonylpyrazolo[3,4-c]pyridine;4-bromo-2-cyclopropylsulfonylpyrazolo[3,4-c]pyridine;7-bromo-3H-pyrrolo[3,4-c]pyridine;cyclopropanesulfonyl chloride;N-[4-(1-cyclopropylsulfonylpyrazolo[5,4-c]pyridin-4-yl)-2-pyridinyl]acetamide;methane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide.

What is the SMILES notation for 4-bromo-1-cyclopropylsulfonylpyrazolo[3,4-c]pyridine;4-bromo-2-cyclopropylsulfonylpyrazolo[3,4-c]pyridine;7-bromo-3H-pyrrolo[3,4-c]pyridine;cyclopropanesulfonyl chloride;N-[4-(1-cyclopropylsulfonylpyrazolo[5,4-c]pyridin-4-yl)-2-pyridinyl]acetamide;methane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide?

The canonical SMILES for 4-bromo-1-cyclopropylsulfonylpyrazolo[3,4-c]pyridine;4-bromo-2-cyclopropylsulfonylpyrazolo[3,4-c]pyridine;7-bromo-3H-pyrrolo[3,4-c]pyridine;cyclopropanesulfonyl chloride;N-[4-(1-cyclopropylsulfonylpyrazolo[5,4-c]pyridin-4-yl)-2-pyridinyl]acetamide;methane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide is Brc1cncc2c1C=NC2.C.C.C.C.CC(=O)Nc1cc(-c2cncc3c2cnn3S(=O)(=O)C2CC2)ccn1.CC(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1.O=S(=O)(C1CC1)n1cc2c(Br)cncc2n1.O=S(=O)(C1CC1)n1ncc2c(Br)cncc21.O=S(=O)(Cl)C1CC1.

What is the InChIKey of 4-bromo-1-cyclopropylsulfonylpyrazolo[3,4-c]pyridine;4-bromo-2-cyclopropylsulfonylpyrazolo[3,4-c]pyridine;7-bromo-3H-pyrrolo[3,4-c]pyridine;cyclopropanesulfonyl chloride;N-[4-(1-cyclopropylsulfonylpyrazolo[5,4-c]pyridin-4-yl)-2-pyridinyl]acetamide;methane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide?

The InChIKey is HZYAQTJBHXKFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O3S.C13H19BN2O3.2C9H8BrN3O2S.C7H5BrN2.C3H5ClO2S.4CH4/c1-10(22)20-16-6-11(4-5-18-16)13-7-17-9-15-14(13)8-19-21(15)25(23,24)12-2-3-12;1-9(17)16-11-8-10(6-7-15-11)14-18-12(2,3)13(4,5)19-14;10-8-3-11-4-9-7(8)5-13(12-9)16(14,15)6-1-2-6;10-8-4-11-5-9-7(8)3-12-13(9)16(14,15)6-1-2-6;8-7-4-10-2-5-1-9-3-6(5)7;4-7(5,6)3-1-2-3;;;;/h4-9,12H,2-3H2,1H3,(H,18,20,22);6-8H,1-5H3,(H,15,16,17);2*3-6H,1-2H2;2-4H,1H2;3H,1-2H2;4*1H4.

What are the key properties of 4-bromo-1-cyclopropylsulfonylpyrazolo[3,4-c]pyridine;4-bromo-2-cyclopropylsulfonylpyrazolo[3,4-c]pyridine;7-bromo-3H-pyrrolo[3,4-c]pyridine;cyclopropanesulfonyl chloride;N-[4-(1-cyclopropylsulfonylpyrazolo[5,4-c]pyridin-4-yl)-2-pyridinyl]acetamide;methane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide?

4-bromo-1-cyclopropylsulfonylpyrazolo[3,4-c]pyridine;4-bromo-2-cyclopropylsulfonylpyrazolo[3,4-c]pyridine;7-bromo-3H-pyrrolo[3,4-c]pyridine;cyclopropanesulfonyl chloride;N-[4-(1-cyclopropylsulfonylpyrazolo[5,4-c]pyridin-4-yl)-2-pyridinyl]acetamide;methane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide has a molecular weight of 1625.62 g/mol, XLogP of 11.24, 11 rotatable bonds, 2 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-1-cyclopropylsulfonylpyrazolo[3,4-c]pyridine;4-bromo-2-cyclopropylsulfonylpyrazolo[3,4-c]pyridine;7-bromo-3H-pyrrolo[3,4-c]pyridine;cyclopropanesulfonyl chloride;N-[4-(1-cyclopropylsulfonylpyrazolo[5,4-c]pyridin-4-yl)-2-pyridinyl]acetamide;methane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide is sourced from PubChem (CID 158637384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).