1-[[(5S)-1-[2-(3-fluorophenyl)ethylsulfonyl]-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5S)-1-[2-(4-fluorophenyl)ethylsulfonyl]-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine

C48H52F2N10O4S2 — CID 160894394

IUPAC1-[[(5S)-1-[2-(3-fluorophenyl)ethylsulfonyl]-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5S)-1-[2-(4-fluorophenyl)ethylsulfonyl]-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)CCc1ccc(F)cc1.C[C@H]1CC(Cn2ccc3nc(-c4cn[nH]c4)ccc32)CN1S(=O)(=O)CCc1cccc(F)c1
InChIInChI=1S/2C24H26FN5O2S/c1-17-12-19(16-30(17)33(31,32)11-9-18-2-4-21(25)5-3-18)15-29-10-8-23-24(29)7-6-22(28-23)20-13-26-27-14-20;1-17-11-19(16-30(17)33(31,32)10-8-18-3-2-4-21(25)12-18)15-29-9-7-23-24(29)6-5-22(28-23)20-13-26-27-14-20/h2-8,10,13-14,17,19H,9,11-12,15-16H2,1H3,(H,26,27);2-7,9,12-14,17,19H,8,10-11,15-16H2,1H3,(H,26,27)/t2*17-,19?/m00/s1
InChIKeySORHDQVUKIPOQI-NRUSBEMBSA-N
MW935.14 g/mol
LogP7.70
Rot. Bonds14

About 1-[[(5S)-1-[2-(3-fluorophenyl)ethylsulfonyl]-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5S)-1-[2-(4-fluorophenyl)ethylsulfonyl]-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine

1-[[(5S)-1-[2-(3-fluorophenyl)ethylsulfonyl]-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5S)-1-[2-(4-fluorophenyl)ethylsulfonyl]-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine (PubChem CID 160894394) has the molecular formula C48H52F2N10O4S2 and a molecular weight of 935.14 g/mol. Its IUPAC name is 1-[[(5S)-1-[2-(3-fluorophenyl)ethylsulfonyl]-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5S)-1-[2-(4-fluorophenyl)ethylsulfonyl]-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name1-[[(5S)-1-[2-(3-fluorophenyl)ethylsulfonyl]-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5S)-1-[2-(4-fluorophenyl)ethylsulfonyl]-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine
PubChem CID160894394
Molecular FormulaC48H52F2N10O4S2
Molecular Weight935.14 g/mol
Exact Mass934.36
IUPAC Name1-[[(5S)-1-[2-(3-fluorophenyl)ethylsulfonyl]-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5S)-1-[2-(4-fluorophenyl)ethylsulfonyl]-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)CCc1ccc(F)cc1.C[C@H]1CC(Cn2ccc3nc(-c4cn[nH]c4)ccc32)CN1S(=O)(=O)CCc1cccc(F)c1
InChIInChI=1S/2C24H26FN5O2S/c1-17-12-19(16-30(17)33(31,32)11-9-18-2-4-21(25)5-3-18)15-29-10-8-23-24(29)7-6-22(28-23)20-13-26-27-14-20;1-17-11-19(16-30(17)33(31,32)10-8-18-3-2-4-21(25)12-18)15-29-9-7-23-24(29)6-5-22(28-23)20-13-26-27-14-20/h2-8,10,13-14,17,19H,9,11-12,15-16H2,1H3,(H,26,27);2-7,9,12-14,17,19H,8,10-11,15-16H2,1H3,(H,26,27)/t2*17-,19?/m00/s1
InChIKeySORHDQVUKIPOQI-NRUSBEMBSA-N
XLogP7.70
TPSA167.76 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500935.14
LogP ≤ 57.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 1-[[(5S)-1-[2-(3-fluorophenyl)ethylsulfonyl]-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5S)-1-[2-(4-fluorophenyl)ethylsulfonyl]-5-methylpyrrolidin-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

Related Compounds

N-[[3-[2-[5-[5-[(cyclopentylmethylamino)methyl]-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]-5-fluorophenyl]methyl]methanesulfonamide
CID 137110617
1-((1-(phenylsulfonyl)piperidin-4-yl)methyl)-5-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-b]pyridine
CID 118676615
US11242343, Example 59
CID 134327587
3-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]-N-[2-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]ethyl]-2-(methylamino)propane-1-sulfonamide
CID 118065042
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,5R)-1-[2-(3-fluorophenyl)ethylsulfonyl]-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine
CID 118676608
1-[[(3S,5R)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine
CID 118676613
1-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine
CID 118676628
1-[[(3S,5S)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine
CID 118676633
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

Frequently Asked Questions

What is the IUPAC name of 1-[[(5S)-1-[2-(3-fluorophenyl)ethylsulfonyl]-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5S)-1-[2-(4-fluorophenyl)ethylsulfonyl]-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine?
The IUPAC name of 1-[[(5S)-1-[2-(3-fluorophenyl)ethylsulfonyl]-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5S)-1-[2-(4-fluorophenyl)ethylsulfonyl]-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine (CID 160894394) is 1-[[(5S)-1-[2-(3-fluorophenyl)ethylsulfonyl]-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5S)-1-[2-(4-fluorophenyl)ethylsulfonyl]-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 1-[[(5S)-1-[2-(3-fluorophenyl)ethylsulfonyl]-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5S)-1-[2-(4-fluorophenyl)ethylsulfonyl]-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine?
The canonical SMILES for 1-[[(5S)-1-[2-(3-fluorophenyl)ethylsulfonyl]-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5S)-1-[2-(4-fluorophenyl)ethylsulfonyl]-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)CCc1ccc(F)cc1.C[C@H]1CC(Cn2ccc3nc(-c4cn[nH]c4)ccc32)CN1S(=O)(=O)CCc1cccc(F)c1.
What is the InChIKey of 1-[[(5S)-1-[2-(3-fluorophenyl)ethylsulfonyl]-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5S)-1-[2-(4-fluorophenyl)ethylsulfonyl]-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine?
The InChIKey is SORHDQVUKIPOQI-NRUSBEMBSA-N. The full InChI is InChI=1S/2C24H26FN5O2S/c1-17-12-19(16-30(17)33(31,32)11-9-18-2-4-21(25)5-3-18)15-29-10-8-23-24(29)7-6-22(28-23)20-13-26-27-14-20;1-17-11-19(16-30(17)33(31,32)10-8-18-3-2-4-21(25)12-18)15-29-9-7-23-24(29)6-5-22(28-23)20-13-26-27-14-20/h2-8,10,13-14,17,19H,9,11-12,15-16H2,1H3,(H,26,27);2-7,9,12-14,17,19H,8,10-11,15-16H2,1H3,(H,26,27)/t2*17-,19?/m00/s1.
What are the key properties of 1-[[(5S)-1-[2-(3-fluorophenyl)ethylsulfonyl]-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5S)-1-[2-(4-fluorophenyl)ethylsulfonyl]-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine?
1-[[(5S)-1-[2-(3-fluorophenyl)ethylsulfonyl]-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5S)-1-[2-(4-fluorophenyl)ethylsulfonyl]-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine has a molecular weight of 935.14 g/mol, XLogP of 7.70, 14 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(5S)-1-[2-(3-fluorophenyl)ethylsulfonyl]-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[(5S)-1-[2-(4-fluorophenyl)ethylsulfonyl]-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 160894394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).