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

C111H111F6N25O10S5 — CID 157281712

IUPAC1-[[(5R)-1-(2,5-difluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5R)-1-(4-fluoro-3-methylphenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5S)-1-(2-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5S)-1-(3-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5S)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-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)c1cc(F)ccc1F.C[C@H]1CC(Cn2ccc3nc(-c4cn[nH]c4)ccc32)CN1S(=O)(=O)c1ccc(F)cc1.C[C@H]1CC(Cn2ccc3nc(-c4cn[nH]c4)ccc32)CN1S(=O)(=O)c1cccc(F)c1.C[C@H]1CC(Cn2ccc3nc(-c4cn[nH]c4)ccc32)CN1S(=O)(=O)c1ccccc1F.Cc1cc(S(=O)(=O)N2CC(Cn3ccc4nc(-c5cn[nH]c5)ccc43)C[C@H]2C)ccc1F
InChIInChI=1S/C23H24FN5O2S.C22H21F2N5O2S.3C22H22FN5O2S/c1-15-9-19(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;1-14-8-15(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;1-15-10-16(14-28(15)31(29,30)19-4-2-18(23)3-5-19)13-27-9-8-21-22(27)7-6-20(26-21)17-11-24-25-12-17;1-15-9-16(14-28(15)31(29,30)19-4-2-3-18(23)10-19)13-27-8-7-21-22(27)6-5-20(26-21)17-11-24-25-12-17;1-15-10-16(14-28(15)31(29,30)22-5-3-2-4-18(22)23)13-27-9-8-20-21(27)7-6-19(26-20)17-11-24-25-12-17/h3-9,11-12,16-17H,10,13-14H2,1-2H3,(H,25,26);2-7,9-11,14-15H,8,12-13H2,1H3,(H,25,26);2-9,11-12,15-16H,10,13-14H2,1H3,(H,24,25);2-8,10-12,15-16H,9,13-14H2,1H3,(H,24,25);2-9,11-12,15-16H,10,13-14H2,1H3,(H,24,25)/t16-,17?;14-,15?;3*15-,16?/m11000/s1
InChIKeyAZSWPAOMXRFUGJ-OBWXZYQUSA-N
MW2229.60 g/mol
LogP18.77
Rot. Bonds25

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

1-[[(5R)-1-(2,5-difluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5R)-1-(4-fluoro-3-methylphenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5S)-1-(2-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5S)-1-(3-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5S)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine (PubChem CID 157281712) has the molecular formula C111H111F6N25O10S5 and a molecular weight of 2229.60 g/mol. Its IUPAC name is 1-[[(5R)-1-(2,5-difluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5R)-1-(4-fluoro-3-methylphenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5S)-1-(2-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5S)-1-(3-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5S)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name1-[[(5R)-1-(2,5-difluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5R)-1-(4-fluoro-3-methylphenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5S)-1-(2-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5S)-1-(3-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5S)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine
PubChem CID157281712
Molecular FormulaC111H111F6N25O10S5
Molecular Weight2229.60 g/mol
Exact Mass2227.75
IUPAC Name1-[[(5R)-1-(2,5-difluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5R)-1-(4-fluoro-3-methylphenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5S)-1-(2-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5S)-1-(3-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5S)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-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)c1cc(F)ccc1F.C[C@H]1CC(Cn2ccc3nc(-c4cn[nH]c4)ccc32)CN1S(=O)(=O)c1ccc(F)cc1.C[C@H]1CC(Cn2ccc3nc(-c4cn[nH]c4)ccc32)CN1S(=O)(=O)c1cccc(F)c1.C[C@H]1CC(Cn2ccc3nc(-c4cn[nH]c4)ccc32)CN1S(=O)(=O)c1ccccc1F.Cc1cc(S(=O)(=O)N2CC(Cn3ccc4nc(-c5cn[nH]c5)ccc43)C[C@H]2C)ccc1F
InChIInChI=1S/C23H24FN5O2S.C22H21F2N5O2S.3C22H22FN5O2S/c1-15-9-19(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;1-14-8-15(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;1-15-10-16(14-28(15)31(29,30)19-4-2-18(23)3-5-19)13-27-9-8-21-22(27)7-6-20(26-21)17-11-24-25-12-17;1-15-9-16(14-28(15)31(29,30)19-4-2-3-18(23)10-19)13-27-8-7-21-22(27)6-5-20(26-21)17-11-24-25-12-17;1-15-10-16(14-28(15)31(29,30)22-5-3-2-4-18(22)23)13-27-9-8-20-21(27)7-6-19(26-20)17-11-24-25-12-17/h3-9,11-12,16-17H,10,13-14H2,1-2H3,(H,25,26);2-7,9-11,14-15H,8,12-13H2,1H3,(H,25,26);2-9,11-12,15-16H,10,13-14H2,1H3,(H,24,25);2-8,10-12,15-16H,9,13-14H2,1H3,(H,24,25);2-9,11-12,15-16H,10,13-14H2,1H3,(H,24,25)/t16-,17?;14-,15?;3*15-,16?/m11000/s1
InChIKeyAZSWPAOMXRFUGJ-OBWXZYQUSA-N
XLogP18.77
TPSA419.40 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds25
Heavy Atoms157
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002229.60
LogP ≤ 518.77
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

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

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Launch Full Analysis

Related Compounds

1-[[(3S,5R)-1-(2,5-difluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine
CID 118676594
1-[[(3S,5S)-1-(2,5-difluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine
CID 118676598
1-[[(3S,5S)-1-(4-fluoro-3-methylphenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine
CID 118676643
1-[[(3S,5S)-1-(2,3-difluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine
CID 118676654
1-[[(3S,5R)-1-(4-fluoro-3-methylphenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine
CID 118676681
1-[[(3S,5R)-1-(2,3-difluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine
CID 118676701
1-[[1-(4-fluoro-3-methylphenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine
CID 118676705
1-[[(5R)-1-(2,3-difluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine
CID 118681847
1-[[(5R)-1-(2,5-difluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine
CID 118681850
1-[[(5R)-1-(4-fluoro-3-methylphenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine
CID 118681851
1-[[(5S)-1-(2,3-difluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine
CID 118681855
1-[[(5S)-1-(2,5-difluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine
CID 118681858

Frequently Asked Questions

What is the IUPAC name of 1-[[(5R)-1-(2,5-difluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5R)-1-(4-fluoro-3-methylphenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5S)-1-(2-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5S)-1-(3-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5S)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine?
The IUPAC name of 1-[[(5R)-1-(2,5-difluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5R)-1-(4-fluoro-3-methylphenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5S)-1-(2-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5S)-1-(3-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5S)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine (CID 157281712) is 1-[[(5R)-1-(2,5-difluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5R)-1-(4-fluoro-3-methylphenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5S)-1-(2-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5S)-1-(3-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5S)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 1-[[(5R)-1-(2,5-difluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5R)-1-(4-fluoro-3-methylphenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5S)-1-(2-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5S)-1-(3-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5S)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine?
The canonical SMILES for 1-[[(5R)-1-(2,5-difluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5R)-1-(4-fluoro-3-methylphenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5S)-1-(2-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5S)-1-(3-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5S)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-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)c1cc(F)ccc1F.C[C@H]1CC(Cn2ccc3nc(-c4cn[nH]c4)ccc32)CN1S(=O)(=O)c1ccc(F)cc1.C[C@H]1CC(Cn2ccc3nc(-c4cn[nH]c4)ccc32)CN1S(=O)(=O)c1cccc(F)c1.C[C@H]1CC(Cn2ccc3nc(-c4cn[nH]c4)ccc32)CN1S(=O)(=O)c1ccccc1F.Cc1cc(S(=O)(=O)N2CC(Cn3ccc4nc(-c5cn[nH]c5)ccc43)C[C@H]2C)ccc1F.
What is the InChIKey of 1-[[(5R)-1-(2,5-difluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5R)-1-(4-fluoro-3-methylphenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5S)-1-(2-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5S)-1-(3-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5S)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine?
The InChIKey is AZSWPAOMXRFUGJ-OBWXZYQUSA-N. The full InChI is InChI=1S/C23H24FN5O2S.C22H21F2N5O2S.3C22H22FN5O2S/c1-15-9-19(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;1-14-8-15(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;1-15-10-16(14-28(15)31(29,30)19-4-2-18(23)3-5-19)13-27-9-8-21-22(27)7-6-20(26-21)17-11-24-25-12-17;1-15-9-16(14-28(15)31(29,30)19-4-2-3-18(23)10-19)13-27-8-7-21-22(27)6-5-20(26-21)17-11-24-25-12-17;1-15-10-16(14-28(15)31(29,30)22-5-3-2-4-18(22)23)13-27-9-8-20-21(27)7-6-19(26-20)17-11-24-25-12-17/h3-9,11-12,16-17H,10,13-14H2,1-2H3,(H,25,26);2-7,9-11,14-15H,8,12-13H2,1H3,(H,25,26);2-9,11-12,15-16H,10,13-14H2,1H3,(H,24,25);2-8,10-12,15-16H,9,13-14H2,1H3,(H,24,25);2-9,11-12,15-16H,10,13-14H2,1H3,(H,24,25)/t16-,17?;14-,15?;3*15-,16?/m11000/s1.
What are the key properties of 1-[[(5R)-1-(2,5-difluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5R)-1-(4-fluoro-3-methylphenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5S)-1-(2-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5S)-1-(3-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5S)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine?
1-[[(5R)-1-(2,5-difluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5R)-1-(4-fluoro-3-methylphenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5S)-1-(2-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5S)-1-(3-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5S)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine has a molecular weight of 2229.60 g/mol, XLogP of 18.77, 25 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(5R)-1-(2,5-difluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5R)-1-(4-fluoro-3-methylphenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5S)-1-(2-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5S)-1-(3-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5S)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 157281712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).