1-methyl-7-[(1-propan-2-ylsulfonylazetidin-3-yl)methyl]pyrrolo[2,3-c]pyridine

C15H21N3O2S — CID 124978555

IUPAC1-methyl-7-[(1-propan-2-ylsulfonylazetidin-3-yl)methyl]pyrrolo[2,3-c]pyridine
SMILESCC(C)S(=O)(=O)N1CC(Cc2nccc3ccn(C)c23)C1
InChIInChI=1S/C15H21N3O2S/c1-11(2)21(19,20)18-9-12(10-18)8-14-15-13(4-6-16-14)5-7-17(15)3/h4-7,11-12H,8-10H2,1-3H3
InChIKeyLUUHXAMWJHYLBC-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.79
Rot. Bonds4

About 1-methyl-7-[(1-propan-2-ylsulfonylazetidin-3-yl)methyl]pyrrolo[2,3-c]pyridine

1-methyl-7-[(1-propan-2-ylsulfonylazetidin-3-yl)methyl]pyrrolo[2,3-c]pyridine (PubChem CID 124978555) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 1-methyl-7-[(1-propan-2-ylsulfonylazetidin-3-yl)methyl]pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name1-methyl-7-[(1-propan-2-ylsulfonylazetidin-3-yl)methyl]pyrrolo[2,3-c]pyridine
PubChem CID124978555
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name1-methyl-7-[(1-propan-2-ylsulfonylazetidin-3-yl)methyl]pyrrolo[2,3-c]pyridine
SMILESCC(C)S(=O)(=O)N1CC(Cc2nccc3ccn(C)c23)C1
InChIInChI=1S/C15H21N3O2S/c1-11(2)21(19,20)18-9-12(10-18)8-14-15-13(4-6-16-14)5-7-17(15)3/h4-7,11-12H,8-10H2,1-3H3
InChIKeyLUUHXAMWJHYLBC-UHFFFAOYSA-N
XLogP1.79
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-[(1-propan-2-ylsulfonylazetidin-3-yl)methyl]pyrrolo[2,3-c]pyridine?
The IUPAC name of 1-methyl-7-[(1-propan-2-ylsulfonylazetidin-3-yl)methyl]pyrrolo[2,3-c]pyridine (CID 124978555) is 1-methyl-7-[(1-propan-2-ylsulfonylazetidin-3-yl)methyl]pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 1-methyl-7-[(1-propan-2-ylsulfonylazetidin-3-yl)methyl]pyrrolo[2,3-c]pyridine?
The canonical SMILES for 1-methyl-7-[(1-propan-2-ylsulfonylazetidin-3-yl)methyl]pyrrolo[2,3-c]pyridine is CC(C)S(=O)(=O)N1CC(Cc2nccc3ccn(C)c23)C1.
What is the InChIKey of 1-methyl-7-[(1-propan-2-ylsulfonylazetidin-3-yl)methyl]pyrrolo[2,3-c]pyridine?
The InChIKey is LUUHXAMWJHYLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-11(2)21(19,20)18-9-12(10-18)8-14-15-13(4-6-16-14)5-7-17(15)3/h4-7,11-12H,8-10H2,1-3H3.
What are the key properties of 1-methyl-7-[(1-propan-2-ylsulfonylazetidin-3-yl)methyl]pyrrolo[2,3-c]pyridine?
1-methyl-7-[(1-propan-2-ylsulfonylazetidin-3-yl)methyl]pyrrolo[2,3-c]pyridine has a molecular weight of 307.42 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7-[(1-propan-2-ylsulfonylazetidin-3-yl)methyl]pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 124978555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).