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

C13H17N3O2S — CID 127245813

IUPAC1-methyl-7-[(1-methylsulfonylazetidin-3-yl)methyl]pyrrolo[2,3-c]pyridine
SMILESCn1ccc2ccnc(CC3CN(S(C)(=O)=O)C3)c21
InChIInChI=1S/C13H17N3O2S/c1-15-6-4-11-3-5-14-12(13(11)15)7-10-8-16(9-10)19(2,17)18/h3-6,10H,7-9H2,1-2H3
InChIKeyLRVGWRKMWCCZHF-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.01
Rot. Bonds3

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

1-methyl-7-[(1-methylsulfonylazetidin-3-yl)methyl]pyrrolo[2,3-c]pyridine (PubChem CID 127245813) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is 1-methyl-7-[(1-methylsulfonylazetidin-3-yl)methyl]pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name1-methyl-7-[(1-methylsulfonylazetidin-3-yl)methyl]pyrrolo[2,3-c]pyridine
PubChem CID127245813
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC Name1-methyl-7-[(1-methylsulfonylazetidin-3-yl)methyl]pyrrolo[2,3-c]pyridine
SMILESCn1ccc2ccnc(CC3CN(S(C)(=O)=O)C3)c21
InChIInChI=1S/C13H17N3O2S/c1-15-6-4-11-3-5-14-12(13(11)15)7-10-8-16(9-10)19(2,17)18/h3-6,10H,7-9H2,1-2H3
InChIKeyLRVGWRKMWCCZHF-UHFFFAOYSA-N
XLogP1.01
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.01
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-methylsulfonylazetidin-3-yl)methyl]pyrrolo[2,3-c]pyridine?
The IUPAC name of 1-methyl-7-[(1-methylsulfonylazetidin-3-yl)methyl]pyrrolo[2,3-c]pyridine (CID 127245813) is 1-methyl-7-[(1-methylsulfonylazetidin-3-yl)methyl]pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 1-methyl-7-[(1-methylsulfonylazetidin-3-yl)methyl]pyrrolo[2,3-c]pyridine?
The canonical SMILES for 1-methyl-7-[(1-methylsulfonylazetidin-3-yl)methyl]pyrrolo[2,3-c]pyridine is Cn1ccc2ccnc(CC3CN(S(C)(=O)=O)C3)c21.
What is the InChIKey of 1-methyl-7-[(1-methylsulfonylazetidin-3-yl)methyl]pyrrolo[2,3-c]pyridine?
The InChIKey is LRVGWRKMWCCZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-15-6-4-11-3-5-14-12(13(11)15)7-10-8-16(9-10)19(2,17)18/h3-6,10H,7-9H2,1-2H3.
What are the key properties of 1-methyl-7-[(1-methylsulfonylazetidin-3-yl)methyl]pyrrolo[2,3-c]pyridine?
1-methyl-7-[(1-methylsulfonylazetidin-3-yl)methyl]pyrrolo[2,3-c]pyridine has a molecular weight of 279.37 g/mol, XLogP of 1.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7-[(1-methylsulfonylazetidin-3-yl)methyl]pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 127245813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).