1-[[(5S)-1-(2,5-difluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5S)-1-(4-fluoro-3-methylphenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5S)-5-methyl-1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5R)-5-methyl-1-(2-phenylethylsulfonyl)pyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine

C92H97F3N20O8S4 — CID 161192316

IUPAC1-[[(5S)-1-(2,5-difluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5S)-1-(4-fluoro-3-methylphenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5S)-5-methyl-1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5R)-5-methyl-1-(2-phenylethylsulfonyl)pyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine
SMILESC[C@@H]1CC(Cn2ccc3nc(-c4cn[nH]c4)ccc32)CN1S(=O)(=O)CCc1ccccc1.C[C@H]1CC(Cn2ccc3nc(-c4cn[nH]c4)ccc32)CN1S(=O)(=O)c1cc(F)ccc1F.Cc1cc(S(=O)(=O)N2CC(Cn3ccc4nc(-c5cn[nH]c5)ccc43)C[C@@H]2C)ccc1F.Cc1cccc(S(=O)(=O)N2CC(Cn3ccc4nc(-c5cn[nH]c5)ccc43)C[C@@H]2C)c1
InChIInChI=1S/C24H27N5O2S.C23H24FN5O2S.C23H25N5O2S.C22H21F2N5O2S/c1-18-13-20(17-29(18)32(30,31)12-10-19-5-3-2-4-6-19)16-28-11-9-23-24(28)8-7-22(27-23)21-14-25-26-15-21;1-15-9-19(3-4-20(15)24)32(30,31)29-14-17(10-16(29)2)13-28-8-7-22-23(28)6-5-21(27-22)18-11-25-26-12-18;1-16-4-3-5-20(10-16)31(29,30)28-15-18(11-17(28)2)14-27-9-8-22-23(27)7-6-21(26-22)19-12-24-25-13-19;1-14-8-15(13-29(14)32(30,31)22-9-17(23)2-3-18(22)24)12-28-7-6-20-21(28)5-4-19(27-20)16-10-25-26-11-16/h2-9,11,14-15,18,20H,10,12-13,16-17H2,1H3,(H,25,26);3-9,11-12,16-17H,10,13-14H2,1-2H3,(H,25,26);3-10,12-13,17-18H,11,14-15H2,1-2H3,(H,24,25);2-7,9-11,14-15H,8,12-13H2,1H3,(H,25,26)/t18-,20?;16-,17?;17-,18?;14-,15?/m1000/s1
InChIKeyUTWRFLJVNMYFTB-HAXODCSWSA-N
MW1796.18 g/mol
LogP15.32
Rot. Bonds22

About 1-[[(5S)-1-(2,5-difluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5S)-1-(4-fluoro-3-methylphenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5S)-5-methyl-1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5R)-5-methyl-1-(2-phenylethylsulfonyl)pyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine

1-[[(5S)-1-(2,5-difluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5S)-1-(4-fluoro-3-methylphenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5S)-5-methyl-1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5R)-5-methyl-1-(2-phenylethylsulfonyl)pyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine (PubChem CID 161192316) has the molecular formula C92H97F3N20O8S4 and a molecular weight of 1796.18 g/mol. Its IUPAC name is 1-[[(5S)-1-(2,5-difluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5S)-1-(4-fluoro-3-methylphenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5S)-5-methyl-1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5R)-5-methyl-1-(2-phenylethylsulfonyl)pyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name1-[[(5S)-1-(2,5-difluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5S)-1-(4-fluoro-3-methylphenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5S)-5-methyl-1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5R)-5-methyl-1-(2-phenylethylsulfonyl)pyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine
PubChem CID161192316
Molecular FormulaC92H97F3N20O8S4
Molecular Weight1796.18 g/mol
Exact Mass1794.66
IUPAC Name1-[[(5S)-1-(2,5-difluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5S)-1-(4-fluoro-3-methylphenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5S)-5-methyl-1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5R)-5-methyl-1-(2-phenylethylsulfonyl)pyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine
SMILESC[C@@H]1CC(Cn2ccc3nc(-c4cn[nH]c4)ccc32)CN1S(=O)(=O)CCc1ccccc1.C[C@H]1CC(Cn2ccc3nc(-c4cn[nH]c4)ccc32)CN1S(=O)(=O)c1cc(F)ccc1F.Cc1cc(S(=O)(=O)N2CC(Cn3ccc4nc(-c5cn[nH]c5)ccc43)C[C@@H]2C)ccc1F.Cc1cccc(S(=O)(=O)N2CC(Cn3ccc4nc(-c5cn[nH]c5)ccc43)C[C@@H]2C)c1
InChIInChI=1S/C24H27N5O2S.C23H24FN5O2S.C23H25N5O2S.C22H21F2N5O2S/c1-18-13-20(17-29(18)32(30,31)12-10-19-5-3-2-4-6-19)16-28-11-9-23-24(28)8-7-22(27-23)21-14-25-26-15-21;1-15-9-19(3-4-20(15)24)32(30,31)29-14-17(10-16(29)2)13-28-8-7-22-23(28)6-5-21(27-22)18-11-25-26-12-18;1-16-4-3-5-20(10-16)31(29,30)28-15-18(11-17(28)2)14-27-9-8-22-23(27)7-6-21(26-22)19-12-24-25-13-19;1-14-8-15(13-29(14)32(30,31)22-9-17(23)2-3-18(22)24)12-28-7-6-20-21(28)5-4-19(27-20)16-10-25-26-11-16/h2-9,11,14-15,18,20H,10,12-13,16-17H2,1H3,(H,25,26);3-9,11-12,16-17H,10,13-14H2,1-2H3,(H,25,26);3-10,12-13,17-18H,11,14-15H2,1-2H3,(H,24,25);2-7,9-11,14-15H,8,12-13H2,1H3,(H,25,26)/t18-,20?;16-,17?;17-,18?;14-,15?/m1000/s1
InChIKeyUTWRFLJVNMYFTB-HAXODCSWSA-N
XLogP15.32
TPSA335.52 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds22
Heavy Atoms127
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001796.18
LogP ≤ 515.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Analyze 1-[[(5S)-1-(2,5-difluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5S)-1-(4-fluoro-3-methylphenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5S)-5-methyl-1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5R)-5-methyl-1-(2-phenylethylsulfonyl)pyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[(5S)-1-(2,5-difluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5S)-1-(4-fluoro-3-methylphenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5S)-5-methyl-1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5R)-5-methyl-1-(2-phenylethylsulfonyl)pyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine?
The IUPAC name of 1-[[(5S)-1-(2,5-difluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5S)-1-(4-fluoro-3-methylphenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5S)-5-methyl-1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5R)-5-methyl-1-(2-phenylethylsulfonyl)pyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine (CID 161192316) is 1-[[(5S)-1-(2,5-difluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5S)-1-(4-fluoro-3-methylphenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5S)-5-methyl-1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5R)-5-methyl-1-(2-phenylethylsulfonyl)pyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 1-[[(5S)-1-(2,5-difluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5S)-1-(4-fluoro-3-methylphenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5S)-5-methyl-1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5R)-5-methyl-1-(2-phenylethylsulfonyl)pyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine?
The canonical SMILES for 1-[[(5S)-1-(2,5-difluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5S)-1-(4-fluoro-3-methylphenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5S)-5-methyl-1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5R)-5-methyl-1-(2-phenylethylsulfonyl)pyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine is C[C@@H]1CC(Cn2ccc3nc(-c4cn[nH]c4)ccc32)CN1S(=O)(=O)CCc1ccccc1.C[C@H]1CC(Cn2ccc3nc(-c4cn[nH]c4)ccc32)CN1S(=O)(=O)c1cc(F)ccc1F.Cc1cc(S(=O)(=O)N2CC(Cn3ccc4nc(-c5cn[nH]c5)ccc43)C[C@@H]2C)ccc1F.Cc1cccc(S(=O)(=O)N2CC(Cn3ccc4nc(-c5cn[nH]c5)ccc43)C[C@@H]2C)c1.
What is the InChIKey of 1-[[(5S)-1-(2,5-difluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5S)-1-(4-fluoro-3-methylphenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5S)-5-methyl-1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5R)-5-methyl-1-(2-phenylethylsulfonyl)pyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine?
The InChIKey is UTWRFLJVNMYFTB-HAXODCSWSA-N. The full InChI is InChI=1S/C24H27N5O2S.C23H24FN5O2S.C23H25N5O2S.C22H21F2N5O2S/c1-18-13-20(17-29(18)32(30,31)12-10-19-5-3-2-4-6-19)16-28-11-9-23-24(28)8-7-22(27-23)21-14-25-26-15-21;1-15-9-19(3-4-20(15)24)32(30,31)29-14-17(10-16(29)2)13-28-8-7-22-23(28)6-5-21(27-22)18-11-25-26-12-18;1-16-4-3-5-20(10-16)31(29,30)28-15-18(11-17(28)2)14-27-9-8-22-23(27)7-6-21(26-22)19-12-24-25-13-19;1-14-8-15(13-29(14)32(30,31)22-9-17(23)2-3-18(22)24)12-28-7-6-20-21(28)5-4-19(27-20)16-10-25-26-11-16/h2-9,11,14-15,18,20H,10,12-13,16-17H2,1H3,(H,25,26);3-9,11-12,16-17H,10,13-14H2,1-2H3,(H,25,26);3-10,12-13,17-18H,11,14-15H2,1-2H3,(H,24,25);2-7,9-11,14-15H,8,12-13H2,1H3,(H,25,26)/t18-,20?;16-,17?;17-,18?;14-,15?/m1000/s1.
What are the key properties of 1-[[(5S)-1-(2,5-difluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5S)-1-(4-fluoro-3-methylphenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5S)-5-methyl-1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5R)-5-methyl-1-(2-phenylethylsulfonyl)pyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine?
1-[[(5S)-1-(2,5-difluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5S)-1-(4-fluoro-3-methylphenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5S)-5-methyl-1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5R)-5-methyl-1-(2-phenylethylsulfonyl)pyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine has a molecular weight of 1796.18 g/mol, XLogP of 15.32, 22 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(5S)-1-(2,5-difluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5S)-1-(4-fluoro-3-methylphenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5S)-5-methyl-1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5R)-5-methyl-1-(2-phenylethylsulfonyl)pyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 161192316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).