1-[[(3S,5R)-5-methyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine

C23H25N5O2S — CID 118676757

IUPAC1-[[(3S,5R)-5-methyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine
SMILESCc1ccc(S(=O)(=O)N2C[C@H](Cn3ccc4nc(-c5cn[nH]c5)ccc43)C[C@H]2C)cc1
InChIInChI=1S/C23H25N5O2S/c1-16-3-5-20(6-4-16)31(29,30)28-15-18(11-17(28)2)14-27-10-9-22-23(27)8-7-21(26-22)19-12-24-25-13-19/h3-10,12-13,17-18H,11,14-15H2,1-2H3,(H,24,25)/t17-,18+/m1/s1
InChIKeyXSNYSXKJAWAVEK-MSOLQXFVSA-N
MW435.55 g/mol
LogP3.83
Rot. Bonds5

About 1-[[(3S,5R)-5-methyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine

1-[[(3S,5R)-5-methyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine (PubChem CID 118676757) has the molecular formula C23H25N5O2S and a molecular weight of 435.55 g/mol. Its IUPAC name is 1-[[(3S,5R)-5-methyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name1-[[(3S,5R)-5-methyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine
PubChem CID118676757
Molecular FormulaC23H25N5O2S
Molecular Weight435.55 g/mol
Exact Mass435.17
IUPAC Name1-[[(3S,5R)-5-methyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine
SMILESCc1ccc(S(=O)(=O)N2C[C@H](Cn3ccc4nc(-c5cn[nH]c5)ccc43)C[C@H]2C)cc1
InChIInChI=1S/C23H25N5O2S/c1-16-3-5-20(6-4-16)31(29,30)28-15-18(11-17(28)2)14-27-10-9-22-23(27)8-7-21(26-22)19-12-24-25-13-19/h3-10,12-13,17-18H,11,14-15H2,1-2H3,(H,24,25)/t17-,18+/m1/s1
InChIKeyXSNYSXKJAWAVEK-MSOLQXFVSA-N
XLogP3.83
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[[(3S,5R)-5-methyl-1-(4-methylphenyl)sulfonylpyrrolidin-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-[[(3S,5R)-5-methyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine?
The IUPAC name of 1-[[(3S,5R)-5-methyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine (CID 118676757) is 1-[[(3S,5R)-5-methyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 1-[[(3S,5R)-5-methyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine?
The canonical SMILES for 1-[[(3S,5R)-5-methyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine is Cc1ccc(S(=O)(=O)N2C[C@H](Cn3ccc4nc(-c5cn[nH]c5)ccc43)C[C@H]2C)cc1.
What is the InChIKey of 1-[[(3S,5R)-5-methyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine?
The InChIKey is XSNYSXKJAWAVEK-MSOLQXFVSA-N. The full InChI is InChI=1S/C23H25N5O2S/c1-16-3-5-20(6-4-16)31(29,30)28-15-18(11-17(28)2)14-27-10-9-22-23(27)8-7-21(26-22)19-12-24-25-13-19/h3-10,12-13,17-18H,11,14-15H2,1-2H3,(H,24,25)/t17-,18+/m1/s1.
What are the key properties of 1-[[(3S,5R)-5-methyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine?
1-[[(3S,5R)-5-methyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine has a molecular weight of 435.55 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3S,5R)-5-methyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 118676757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).