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

C23H25N5O2S — CID 118681856

IUPAC1-[[(5S)-5-methyl-1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine
SMILESCc1cccc(S(=O)(=O)N2CC(Cn3ccc4nc(-c5cn[nH]c5)ccc43)C[C@@H]2C)c1
InChIInChI=1S/C23H25N5O2S/c1-16-4-3-5-20(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/h3-10,12-13,17-18H,11,14-15H2,1-2H3,(H,24,25)/t17-,18?/m0/s1
InChIKeyJELGCHFZXLOUKL-ZENAZSQFSA-N
MW435.55 g/mol
LogP3.83
Rot. Bonds5

About 1-[[(5S)-5-methyl-1-(3-methylphenyl)sulfonylpyrrolidin-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 (PubChem CID 118681856) has the molecular formula C23H25N5O2S and a molecular weight of 435.55 g/mol. Its IUPAC name is 1-[[(5S)-5-methyl-1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name1-[[(5S)-5-methyl-1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine
PubChem CID118681856
Molecular FormulaC23H25N5O2S
Molecular Weight435.55 g/mol
Exact Mass435.17
IUPAC Name1-[[(5S)-5-methyl-1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine
SMILESCc1cccc(S(=O)(=O)N2CC(Cn3ccc4nc(-c5cn[nH]c5)ccc43)C[C@@H]2C)c1
InChIInChI=1S/C23H25N5O2S/c1-16-4-3-5-20(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/h3-10,12-13,17-18H,11,14-15H2,1-2H3,(H,24,25)/t17-,18?/m0/s1
InChIKeyJELGCHFZXLOUKL-ZENAZSQFSA-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

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Frequently Asked Questions

What is the IUPAC name of 1-[[(5S)-5-methyl-1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine?
The IUPAC name of 1-[[(5S)-5-methyl-1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine (CID 118681856) is 1-[[(5S)-5-methyl-1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 1-[[(5S)-5-methyl-1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine?
The canonical SMILES for 1-[[(5S)-5-methyl-1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine is Cc1cccc(S(=O)(=O)N2CC(Cn3ccc4nc(-c5cn[nH]c5)ccc43)C[C@@H]2C)c1.
What is the InChIKey of 1-[[(5S)-5-methyl-1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine?
The InChIKey is JELGCHFZXLOUKL-ZENAZSQFSA-N. The full InChI is InChI=1S/C23H25N5O2S/c1-16-4-3-5-20(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/h3-10,12-13,17-18H,11,14-15H2,1-2H3,(H,24,25)/t17-,18?/m0/s1.
What are the key properties of 1-[[(5S)-5-methyl-1-(3-methylphenyl)sulfonylpyrrolidin-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 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-[[(5S)-5-methyl-1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 118681856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).