N-methyl-1-phenylsulfanyl-3-(trifluoromethoxy)pyrrolo[3,2-b]pyridine-2-carboxamide

C16H12F3N3O2S — CID 141118680

IUPACN-methyl-1-phenylsulfanyl-3-(trifluoromethoxy)pyrrolo[3,2-b]pyridine-2-carboxamide
SMILESCNC(=O)c1c(OC(F)(F)F)c2ncccc2n1Sc1ccccc1
InChIInChI=1S/C16H12F3N3O2S/c1-20-15(23)13-14(24-16(17,18)19)12-11(8-5-9-21-12)22(13)25-10-6-3-2-4-7-10/h2-9H,1H3,(H,20,23)
InChIKeyVZGIDLAAFMCUHL-UHFFFAOYSA-N
MW367.35 g/mol
LogP3.85
Rot. Bonds4

About N-methyl-1-phenylsulfanyl-3-(trifluoromethoxy)pyrrolo[3,2-b]pyridine-2-carboxamide

N-methyl-1-phenylsulfanyl-3-(trifluoromethoxy)pyrrolo[3,2-b]pyridine-2-carboxamide (PubChem CID 141118680) has the molecular formula C16H12F3N3O2S and a molecular weight of 367.35 g/mol. Its IUPAC name is N-methyl-1-phenylsulfanyl-3-(trifluoromethoxy)pyrrolo[3,2-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-1-phenylsulfanyl-3-(trifluoromethoxy)pyrrolo[3,2-b]pyridine-2-carboxamide
PubChem CID141118680
Molecular FormulaC16H12F3N3O2S
Molecular Weight367.35 g/mol
Exact Mass367.06
IUPAC NameN-methyl-1-phenylsulfanyl-3-(trifluoromethoxy)pyrrolo[3,2-b]pyridine-2-carboxamide
SMILESCNC(=O)c1c(OC(F)(F)F)c2ncccc2n1Sc1ccccc1
InChIInChI=1S/C16H12F3N3O2S/c1-20-15(23)13-14(24-16(17,18)19)12-11(8-5-9-21-12)22(13)25-10-6-3-2-4-7-10/h2-9H,1H3,(H,20,23)
InChIKeyVZGIDLAAFMCUHL-UHFFFAOYSA-N
XLogP3.85
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.35
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-phenylsulfanyl-3-(trifluoromethoxy)pyrrolo[3,2-b]pyridine-2-carboxamide?
The IUPAC name of N-methyl-1-phenylsulfanyl-3-(trifluoromethoxy)pyrrolo[3,2-b]pyridine-2-carboxamide (CID 141118680) is N-methyl-1-phenylsulfanyl-3-(trifluoromethoxy)pyrrolo[3,2-b]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-1-phenylsulfanyl-3-(trifluoromethoxy)pyrrolo[3,2-b]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-1-phenylsulfanyl-3-(trifluoromethoxy)pyrrolo[3,2-b]pyridine-2-carboxamide is CNC(=O)c1c(OC(F)(F)F)c2ncccc2n1Sc1ccccc1.
What is the InChIKey of N-methyl-1-phenylsulfanyl-3-(trifluoromethoxy)pyrrolo[3,2-b]pyridine-2-carboxamide?
The InChIKey is VZGIDLAAFMCUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O2S/c1-20-15(23)13-14(24-16(17,18)19)12-11(8-5-9-21-12)22(13)25-10-6-3-2-4-7-10/h2-9H,1H3,(H,20,23).
What are the key properties of N-methyl-1-phenylsulfanyl-3-(trifluoromethoxy)pyrrolo[3,2-b]pyridine-2-carboxamide?
N-methyl-1-phenylsulfanyl-3-(trifluoromethoxy)pyrrolo[3,2-b]pyridine-2-carboxamide has a molecular weight of 367.35 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-phenylsulfanyl-3-(trifluoromethoxy)pyrrolo[3,2-b]pyridine-2-carboxamide is sourced from PubChem (CID 141118680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).