3-(2-fluoro-4-methylsulfanylanilino)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide

C15H13FN4OS — CID 143686635

IUPAC3-(2-fluoro-4-methylsulfanylanilino)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
SMILESCSc1ccc(Nc2c(C(N)=O)[nH]c3ccncc23)c(F)c1
InChIInChI=1S/C15H13FN4OS/c1-22-8-2-3-12(10(16)6-8)20-13-9-7-18-5-4-11(9)19-14(13)15(17)21/h2-7,19-20H,1H3,(H2,17,21)
InChIKeyFNXJKMKCCWZJBU-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.27
Rot. Bonds4

About 3-(2-fluoro-4-methylsulfanylanilino)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide

3-(2-fluoro-4-methylsulfanylanilino)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide (PubChem CID 143686635) has the molecular formula C15H13FN4OS and a molecular weight of 316.36 g/mol. Its IUPAC name is 3-(2-fluoro-4-methylsulfanylanilino)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(2-fluoro-4-methylsulfanylanilino)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
PubChem CID143686635
Molecular FormulaC15H13FN4OS
Molecular Weight316.36 g/mol
Exact Mass316.08
IUPAC Name3-(2-fluoro-4-methylsulfanylanilino)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
SMILESCSc1ccc(Nc2c(C(N)=O)[nH]c3ccncc23)c(F)c1
InChIInChI=1S/C15H13FN4OS/c1-22-8-2-3-12(10(16)6-8)20-13-9-7-18-5-4-11(9)19-14(13)15(17)21/h2-7,19-20H,1H3,(H2,17,21)
InChIKeyFNXJKMKCCWZJBU-UHFFFAOYSA-N
XLogP3.27
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4-methylsulfanylanilino)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The IUPAC name of 3-(2-fluoro-4-methylsulfanylanilino)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide (CID 143686635) is 3-(2-fluoro-4-methylsulfanylanilino)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for 3-(2-fluoro-4-methylsulfanylanilino)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for 3-(2-fluoro-4-methylsulfanylanilino)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide is CSc1ccc(Nc2c(C(N)=O)[nH]c3ccncc23)c(F)c1.
What is the InChIKey of 3-(2-fluoro-4-methylsulfanylanilino)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The InChIKey is FNXJKMKCCWZJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4OS/c1-22-8-2-3-12(10(16)6-8)20-13-9-7-18-5-4-11(9)19-14(13)15(17)21/h2-7,19-20H,1H3,(H2,17,21).
What are the key properties of 3-(2-fluoro-4-methylsulfanylanilino)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
3-(2-fluoro-4-methylsulfanylanilino)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 3.27, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4-methylsulfanylanilino)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 143686635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).