1-[[1-[4-(difluoromethyl)phenyl]sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[1-(2-fluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[1-(3-fluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[1-(4-fluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;5-(1H-pyrazol-4-yl)-1-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pyrrolo[3,2-b]pyridine

C113H117F5N26O10S5 — CID 159423142

About 1-[[1-[4-(difluoromethyl)phenyl]sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[1-(2-fluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[1-(3-fluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[1-(4-fluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;5-(1H-pyrazol-4-yl)-1-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pyrrolo[3,2-b]pyridine

1-[[1-[4-(difluoromethyl)phenyl]sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[1-(2-fluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[1-(3-fluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[1-(4-fluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;5-(1H-pyrazol-4-yl)-1-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pyrrolo[3,2-b]pyridine (PubChem CID 159423142) has the molecular formula C113H117F5N26O10S5 and a molecular weight of 2254.68 g/mol. Its IUPAC name is 1-[[1-[4-(difluoromethyl)phenyl]sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[1-(2-fluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[1-(3-fluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[1-(4-fluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;5-(1H-pyrazol-4-yl)-1-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pyrrolo[3,2-b]pyridine.

Molecular Properties

• Compound Name: 1-[[1-[4-(difluoromethyl)phenyl]sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[1-(2-fluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[1-(3-fluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[1-(4-fluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;5-(1H-pyrazol-4-yl)-1-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pyrrolo[3,2-b]pyridine
• PubChem CID: 159423142
• Molecular Formula: C113H117F5N26O10S5
• Molecular Weight: 2254.68 g/mol
• Exact Mass: 2252.80
• IUPAC Name: 1-[[1-[4-(difluoromethyl)phenyl]sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[1-(2-fluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[1-(3-fluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[1-(4-fluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;5-(1H-pyrazol-4-yl)-1-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pyrrolo[3,2-b]pyridine
• SMILES: CC1(C)CC(Cn2ccc3nc(-c4cn[nH]c4)ccc32)CN1S(=O)(=O)c1ccc(F)cc1.CC1(C)CC(Cn2ccc3nc(-c4cn[nH]c4)ccc32)CN1S(=O)(=O)c1cccc(F)c1.CC1(C)CC(Cn2ccc3nc(-c4cn[nH]c4)ccc32)CN1S(=O)(=O)c1ccccc1F.O=S(=O)(c1ccc(C(F)F)cc1)N1CCC(Cn2ccc3nc(-c4cn[nH]c4)ccc32)CC1.O=S(=O)(c1cccnc1)N1CCC(Cn2ccc3nc(-c4cn[nH]c4)ccc32)CC1
• InChI: InChI=1S/C23H23F2N5O2S.3C23H24FN5O2S.C21H22N6O2S/c24-23(25)17-1-3-19(4-2-17)33(31,32)30-11-7-16(8-12-30)15-29-10-9-21-22(29)6-5-20(28-21)18-13-26-27-14-18;1-23(2)11-16(15-29(23)32(30,31)19-5-3-18(24)4-6-19)14-28-10-9-21-22(28)8-7-20(27-21)17-12-25-26-13-17;1-23(2)11-16(15-29(23)32(30,31)19-5-3-4-18(24)10-19)14-28-9-8-21-22(28)7-6-20(27-21)17-12-25-26-13-17;1-23(2)11-16(15-29(23)32(30,31)22-6-4-3-5-18(22)24)14-28-10-9-20-21(28)8-7-19(27-20)17-12-25-26-13-17;28-30(29,18-2-1-8-22-14-18)27-10-5-16(6-11-27)15-26-9-7-20-21(26)4-3-19(25-20)17-12-23-24-13-17/h1-6,9-10,13-14,16,23H,7-8,11-12,15H2,(H,26,27);3*3-10,12-13,16H,11,14-15H2,1-2H3,(H,25,26);1-4,7-9,12-14,16H,5-6,10-11,15H2,(H,23,24)
• InChIKey: LPZZKXKVIRWTRE-UHFFFAOYSA-N
• XLogP: 19.55
• TPSA: 432.29 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 26
• Rotatable Bonds: 26
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2254.68
LogP ≤ 5	19.55
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[4-(difluoromethyl)phenyl]sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[1-(2-fluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[1-(3-fluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[1-(4-fluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;5-(1H-pyrazol-4-yl)-1-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pyrrolo[3,2-b]pyridine?

The IUPAC name of 1-[[1-[4-(difluoromethyl)phenyl]sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[1-(2-fluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[1-(3-fluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[1-(4-fluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;5-(1H-pyrazol-4-yl)-1-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pyrrolo[3,2-b]pyridine (CID 159423142) is 1-[[1-[4-(difluoromethyl)phenyl]sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[1-(2-fluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[1-(3-fluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[1-(4-fluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;5-(1H-pyrazol-4-yl)-1-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pyrrolo[3,2-b]pyridine.

What is the SMILES notation for 1-[[1-[4-(difluoromethyl)phenyl]sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[1-(2-fluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[1-(3-fluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[1-(4-fluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;5-(1H-pyrazol-4-yl)-1-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pyrrolo[3,2-b]pyridine?

The canonical SMILES for 1-[[1-[4-(difluoromethyl)phenyl]sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[1-(2-fluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[1-(3-fluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[1-(4-fluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;5-(1H-pyrazol-4-yl)-1-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pyrrolo[3,2-b]pyridine is CC1(C)CC(Cn2ccc3nc(-c4cn[nH]c4)ccc32)CN1S(=O)(=O)c1ccc(F)cc1.CC1(C)CC(Cn2ccc3nc(-c4cn[nH]c4)ccc32)CN1S(=O)(=O)c1cccc(F)c1.CC1(C)CC(Cn2ccc3nc(-c4cn[nH]c4)ccc32)CN1S(=O)(=O)c1ccccc1F.O=S(=O)(c1ccc(C(F)F)cc1)N1CCC(Cn2ccc3nc(-c4cn[nH]c4)ccc32)CC1.O=S(=O)(c1cccnc1)N1CCC(Cn2ccc3nc(-c4cn[nH]c4)ccc32)CC1.

What is the InChIKey of 1-[[1-[4-(difluoromethyl)phenyl]sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[1-(2-fluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[1-(3-fluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[1-(4-fluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;5-(1H-pyrazol-4-yl)-1-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pyrrolo[3,2-b]pyridine?

The InChIKey is LPZZKXKVIRWTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N5O2S.3C23H24FN5O2S.C21H22N6O2S/c24-23(25)17-1-3-19(4-2-17)33(31,32)30-11-7-16(8-12-30)15-29-10-9-21-22(29)6-5-20(28-21)18-13-26-27-14-18;1-23(2)11-16(15-29(23)32(30,31)19-5-3-18(24)4-6-19)14-28-10-9-21-22(28)8-7-20(27-21)17-12-25-26-13-17;1-23(2)11-16(15-29(23)32(30,31)19-5-3-4-18(24)10-19)14-28-9-8-21-22(28)7-6-20(27-21)17-12-25-26-13-17;1-23(2)11-16(15-29(23)32(30,31)22-6-4-3-5-18(22)24)14-28-10-9-20-21(28)8-7-19(27-20)17-12-25-26-13-17;28-30(29,18-2-1-8-22-14-18)27-10-5-16(6-11-27)15-26-9-7-20-21(26)4-3-19(25-20)17-12-23-24-13-17/h1-6,9-10,13-14,16,23H,7-8,11-12,15H2,(H,26,27);3*3-10,12-13,16H,11,14-15H2,1-2H3,(H,25,26);1-4,7-9,12-14,16H,5-6,10-11,15H2,(H,23,24).

What are the key properties of 1-[[1-[4-(difluoromethyl)phenyl]sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[1-(2-fluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[1-(3-fluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[1-(4-fluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;5-(1H-pyrazol-4-yl)-1-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pyrrolo[3,2-b]pyridine?

1-[[1-[4-(difluoromethyl)phenyl]sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[1-(2-fluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[1-(3-fluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[1-(4-fluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;5-(1H-pyrazol-4-yl)-1-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pyrrolo[3,2-b]pyridine has a molecular weight of 2254.68 g/mol, XLogP of 19.55, 26 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[1-[4-(difluoromethyl)phenyl]sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[1-(2-fluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[1-(3-fluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[1-(4-fluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;5-(1H-pyrazol-4-yl)-1-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 159423142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).