(3-bromo-7H-cyclopenta[b]pyridin-5-yl)-(2,6-difluoro-3,5-dimethoxyphenyl)methanol;5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-3-(1-methylsulfonylpyrazol-4-yl)-7H-cyclopenta[b]pyridine;(2,6-difluoro-3,5-dimethoxyphenyl)-[3-(1-methylsulfonylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]methanol;methanesulfonyl chloride;1-methylsulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

C79H87B2BrClF6N11O20S4 — CID 162202898

About (3-bromo-7H-cyclopenta[b]pyridin-5-yl)-(2,6-difluoro-3,5-dimethoxyphenyl)methanol;5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-3-(1-methylsulfonylpyrazol-4-yl)-7H-cyclopenta[b]pyridine;(2,6-difluoro-3,5-dimethoxyphenyl)-[3-(1-methylsulfonylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]methanol;methanesulfonyl chloride;1-methylsulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

(3-bromo-7H-cyclopenta[b]pyridin-5-yl)-(2,6-difluoro-3,5-dimethoxyphenyl)methanol;5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-3-(1-methylsulfonylpyrazol-4-yl)-7H-cyclopenta[b]pyridine;(2,6-difluoro-3,5-dimethoxyphenyl)-[3-(1-methylsulfonylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]methanol;methanesulfonyl chloride;1-methylsulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole (PubChem CID 162202898) has the molecular formula C79H87B2BrClF6N11O20S4 and a molecular weight of 1889.86 g/mol. Its IUPAC name is (3-bromo-7H-cyclopenta[b]pyridin-5-yl)-(2,6-difluoro-3,5-dimethoxyphenyl)methanol;5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-3-(1-methylsulfonylpyrazol-4-yl)-7H-cyclopenta[b]pyridine;(2,6-difluoro-3,5-dimethoxyphenyl)-[3-(1-methylsulfonylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]methanol;methanesulfonyl chloride;1-methylsulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole.

Molecular Properties

• Compound Name: (3-bromo-7H-cyclopenta[b]pyridin-5-yl)-(2,6-difluoro-3,5-dimethoxyphenyl)methanol;5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-3-(1-methylsulfonylpyrazol-4-yl)-7H-cyclopenta[b]pyridine;(2,6-difluoro-3,5-dimethoxyphenyl)-[3-(1-methylsulfonylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]methanol;methanesulfonyl chloride;1-methylsulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
• PubChem CID: 162202898
• Molecular Formula: C79H87B2BrClF6N11O20S4
• Molecular Weight: 1889.86 g/mol
• Exact Mass: 1887.40
• IUPAC Name: (3-bromo-7H-cyclopenta[b]pyridin-5-yl)-(2,6-difluoro-3,5-dimethoxyphenyl)methanol;5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-3-(1-methylsulfonylpyrazol-4-yl)-7H-cyclopenta[b]pyridine;(2,6-difluoro-3,5-dimethoxyphenyl)-[3-(1-methylsulfonylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]methanol;methanesulfonyl chloride;1-methylsulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
• SMILES: CC1(C)OB(c2cn[nH]c2)OC1(C)C.CC1(C)OB(c2cnn(S(C)(=O)=O)c2)OC1(C)C.COc1cc(OC)c(F)c(C(O)C2=CCc3ncc(-c4cnn(S(C)(=O)=O)c4)cc32)c1F.COc1cc(OC)c(F)c(C(O)C2=CCc3ncc(Br)cc32)c1F.COc1cc(OC)c(F)c(CC2=CCc3ncc(-c4cnn(S(C)(=O)=O)c4)cc32)c1F.CS(=O)(=O)Cl
• InChI: InChI=1S/C21H19F2N3O5S.C21H19F2N3O4S.C17H14BrF2NO3.C10H17BN2O4S.C9H15BN2O2.CH3ClO2S/c1-30-16-7-17(31-2)20(23)18(19(16)22)21(27)13-4-5-15-14(13)6-11(8-24-15)12-9-25-26(10-12)32(3,28)29;1-29-18-8-19(30-2)21(23)16(20(18)22)6-12-4-5-17-15(12)7-13(9-24-17)14-10-25-26(11-14)31(3,27)28;1-23-12-6-13(24-2)16(20)14(15(12)19)17(22)9-3-4-11-10(9)5-8(18)7-21-11;1-9(2)10(3,4)17-11(16-9)8-6-12-13(7-8)18(5,14)15;1-8(2)9(3,4)14-10(13-8)7-5-11-12-6-7;1-5(2,3)4/h4,6-10,21,27H,5H2,1-3H3;4,7-11H,5-6H2,1-3H3;3,5-7,17,22H,4H2,1-2H3;6-7H,1-5H3;5-6H,1-4H3,(H,11,12);1H3
• InChIKey: ZRUWLYYUJRHWHI-UHFFFAOYSA-N
• XLogP: 10.65
• TPSA: 390.13 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 30
• Rotatable Bonds: 19
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1889.86
LogP ≤ 5	10.65
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3-bromo-7H-cyclopenta[b]pyridin-5-yl)-(2,6-difluoro-3,5-dimethoxyphenyl)methanol;5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-3-(1-methylsulfonylpyrazol-4-yl)-7H-cyclopenta[b]pyridine;(2,6-difluoro-3,5-dimethoxyphenyl)-[3-(1-methylsulfonylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]methanol;methanesulfonyl chloride;1-methylsulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole?

The IUPAC name of (3-bromo-7H-cyclopenta[b]pyridin-5-yl)-(2,6-difluoro-3,5-dimethoxyphenyl)methanol;5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-3-(1-methylsulfonylpyrazol-4-yl)-7H-cyclopenta[b]pyridine;(2,6-difluoro-3,5-dimethoxyphenyl)-[3-(1-methylsulfonylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]methanol;methanesulfonyl chloride;1-methylsulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole (CID 162202898) is (3-bromo-7H-cyclopenta[b]pyridin-5-yl)-(2,6-difluoro-3,5-dimethoxyphenyl)methanol;5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-3-(1-methylsulfonylpyrazol-4-yl)-7H-cyclopenta[b]pyridine;(2,6-difluoro-3,5-dimethoxyphenyl)-[3-(1-methylsulfonylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]methanol;methanesulfonyl chloride;1-methylsulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole.

What is the SMILES notation for (3-bromo-7H-cyclopenta[b]pyridin-5-yl)-(2,6-difluoro-3,5-dimethoxyphenyl)methanol;5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-3-(1-methylsulfonylpyrazol-4-yl)-7H-cyclopenta[b]pyridine;(2,6-difluoro-3,5-dimethoxyphenyl)-[3-(1-methylsulfonylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]methanol;methanesulfonyl chloride;1-methylsulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole?

The canonical SMILES for (3-bromo-7H-cyclopenta[b]pyridin-5-yl)-(2,6-difluoro-3,5-dimethoxyphenyl)methanol;5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-3-(1-methylsulfonylpyrazol-4-yl)-7H-cyclopenta[b]pyridine;(2,6-difluoro-3,5-dimethoxyphenyl)-[3-(1-methylsulfonylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]methanol;methanesulfonyl chloride;1-methylsulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole is CC1(C)OB(c2cn[nH]c2)OC1(C)C.CC1(C)OB(c2cnn(S(C)(=O)=O)c2)OC1(C)C.COc1cc(OC)c(F)c(C(O)C2=CCc3ncc(-c4cnn(S(C)(=O)=O)c4)cc32)c1F.COc1cc(OC)c(F)c(C(O)C2=CCc3ncc(Br)cc32)c1F.COc1cc(OC)c(F)c(CC2=CCc3ncc(-c4cnn(S(C)(=O)=O)c4)cc32)c1F.CS(=O)(=O)Cl.

What is the InChIKey of (3-bromo-7H-cyclopenta[b]pyridin-5-yl)-(2,6-difluoro-3,5-dimethoxyphenyl)methanol;5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-3-(1-methylsulfonylpyrazol-4-yl)-7H-cyclopenta[b]pyridine;(2,6-difluoro-3,5-dimethoxyphenyl)-[3-(1-methylsulfonylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]methanol;methanesulfonyl chloride;1-methylsulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole?

The InChIKey is ZRUWLYYUJRHWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N3O5S.C21H19F2N3O4S.C17H14BrF2NO3.C10H17BN2O4S.C9H15BN2O2.CH3ClO2S/c1-30-16-7-17(31-2)20(23)18(19(16)22)21(27)13-4-5-15-14(13)6-11(8-24-15)12-9-25-26(10-12)32(3,28)29;1-29-18-8-19(30-2)21(23)16(20(18)22)6-12-4-5-17-15(12)7-13(9-24-17)14-10-25-26(11-14)31(3,27)28;1-23-12-6-13(24-2)16(20)14(15(12)19)17(22)9-3-4-11-10(9)5-8(18)7-21-11;1-9(2)10(3,4)17-11(16-9)8-6-12-13(7-8)18(5,14)15;1-8(2)9(3,4)14-10(13-8)7-5-11-12-6-7;1-5(2,3)4/h4,6-10,21,27H,5H2,1-3H3;4,7-11H,5-6H2,1-3H3;3,5-7,17,22H,4H2,1-2H3;6-7H,1-5H3;5-6H,1-4H3,(H,11,12);1H3.

What are the key properties of (3-bromo-7H-cyclopenta[b]pyridin-5-yl)-(2,6-difluoro-3,5-dimethoxyphenyl)methanol;5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-3-(1-methylsulfonylpyrazol-4-yl)-7H-cyclopenta[b]pyridine;(2,6-difluoro-3,5-dimethoxyphenyl)-[3-(1-methylsulfonylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]methanol;methanesulfonyl chloride;1-methylsulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole?

(3-bromo-7H-cyclopenta[b]pyridin-5-yl)-(2,6-difluoro-3,5-dimethoxyphenyl)methanol;5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-3-(1-methylsulfonylpyrazol-4-yl)-7H-cyclopenta[b]pyridine;(2,6-difluoro-3,5-dimethoxyphenyl)-[3-(1-methylsulfonylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]methanol;methanesulfonyl chloride;1-methylsulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole has a molecular weight of 1889.86 g/mol, XLogP of 10.65, 19 rotatable bonds, 3 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for (3-bromo-7H-cyclopenta[b]pyridin-5-yl)-(2,6-difluoro-3,5-dimethoxyphenyl)methanol;5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-3-(1-methylsulfonylpyrazol-4-yl)-7H-cyclopenta[b]pyridine;(2,6-difluoro-3,5-dimethoxyphenyl)-[3-(1-methylsulfonylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]methanol;methanesulfonyl chloride;1-methylsulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole is sourced from PubChem (CID 162202898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).