[3-(3-fluorophenyl)sulfanyl-1H-pyrrolo[3,2-b]pyridin-2-yl] N-methylcarbamate

C15H12FN3O2S — CID 68885211

IUPAC[3-(3-fluorophenyl)sulfanyl-1H-pyrrolo[3,2-b]pyridin-2-yl] N-methylcarbamate
SMILESCNC(=O)Oc1[nH]c2cccnc2c1Sc1cccc(F)c1
InChIInChI=1S/C15H12FN3O2S/c1-17-15(20)21-14-13(12-11(19-14)6-3-7-18-12)22-10-5-2-4-9(16)8-10/h2-8,19H,1H3,(H,17,20)
InChIKeyPCMSACIMUCRIQC-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.57
Rot. Bonds3

About [3-(3-fluorophenyl)sulfanyl-1H-pyrrolo[3,2-b]pyridin-2-yl] N-methylcarbamate

[3-(3-fluorophenyl)sulfanyl-1H-pyrrolo[3,2-b]pyridin-2-yl] N-methylcarbamate (PubChem CID 68885211) has the molecular formula C15H12FN3O2S and a molecular weight of 317.35 g/mol. Its IUPAC name is [3-(3-fluorophenyl)sulfanyl-1H-pyrrolo[3,2-b]pyridin-2-yl] N-methylcarbamate.

Molecular Properties

Compound Name[3-(3-fluorophenyl)sulfanyl-1H-pyrrolo[3,2-b]pyridin-2-yl] N-methylcarbamate
PubChem CID68885211
Molecular FormulaC15H12FN3O2S
Molecular Weight317.35 g/mol
Exact Mass317.06
IUPAC Name[3-(3-fluorophenyl)sulfanyl-1H-pyrrolo[3,2-b]pyridin-2-yl] N-methylcarbamate
SMILESCNC(=O)Oc1[nH]c2cccnc2c1Sc1cccc(F)c1
InChIInChI=1S/C15H12FN3O2S/c1-17-15(20)21-14-13(12-11(19-14)6-3-7-18-12)22-10-5-2-4-9(16)8-10/h2-8,19H,1H3,(H,17,20)
InChIKeyPCMSACIMUCRIQC-UHFFFAOYSA-N
XLogP3.57
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [3-(3-fluorophenyl)sulfanyl-1H-pyrrolo[3,2-b]pyridin-2-yl] N-methylcarbamate 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 [3-(3-fluorophenyl)sulfanyl-1H-pyrrolo[3,2-b]pyridin-2-yl] N-methylcarbamate?
The IUPAC name of [3-(3-fluorophenyl)sulfanyl-1H-pyrrolo[3,2-b]pyridin-2-yl] N-methylcarbamate (CID 68885211) is [3-(3-fluorophenyl)sulfanyl-1H-pyrrolo[3,2-b]pyridin-2-yl] N-methylcarbamate.
What is the SMILES notation for [3-(3-fluorophenyl)sulfanyl-1H-pyrrolo[3,2-b]pyridin-2-yl] N-methylcarbamate?
The canonical SMILES for [3-(3-fluorophenyl)sulfanyl-1H-pyrrolo[3,2-b]pyridin-2-yl] N-methylcarbamate is CNC(=O)Oc1[nH]c2cccnc2c1Sc1cccc(F)c1.
What is the InChIKey of [3-(3-fluorophenyl)sulfanyl-1H-pyrrolo[3,2-b]pyridin-2-yl] N-methylcarbamate?
The InChIKey is PCMSACIMUCRIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2S/c1-17-15(20)21-14-13(12-11(19-14)6-3-7-18-12)22-10-5-2-4-9(16)8-10/h2-8,19H,1H3,(H,17,20).
What are the key properties of [3-(3-fluorophenyl)sulfanyl-1H-pyrrolo[3,2-b]pyridin-2-yl] N-methylcarbamate?
[3-(3-fluorophenyl)sulfanyl-1H-pyrrolo[3,2-b]pyridin-2-yl] N-methylcarbamate has a molecular weight of 317.35 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-fluorophenyl)sulfanyl-1H-pyrrolo[3,2-b]pyridin-2-yl] N-methylcarbamate is sourced from PubChem (CID 68885211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).