3-(1,3-dihydroisoindol-2-yl)-4-fluorothieno[2,3-c]pyridine-2-carboxamide

C16H12FN3OS — CID 175936758

IUPAC3-(1,3-dihydroisoindol-2-yl)-4-fluorothieno[2,3-c]pyridine-2-carboxamide
SMILESNC(=O)c1sc2cncc(F)c2c1N1Cc2ccccc2C1
InChIInChI=1S/C16H12FN3OS/c17-11-5-19-6-12-13(11)14(15(22-12)16(18)21)20-7-9-3-1-2-4-10(9)8-20/h1-6H,7-8H2,(H2,18,21)
InChIKeyAHMBUBSEBATQJT-UHFFFAOYSA-N
MW313.36 g/mol
LogP3.05
Rot. Bonds2

About 3-(1,3-dihydroisoindol-2-yl)-4-fluorothieno[2,3-c]pyridine-2-carboxamide

3-(1,3-dihydroisoindol-2-yl)-4-fluorothieno[2,3-c]pyridine-2-carboxamide (PubChem CID 175936758) has the molecular formula C16H12FN3OS and a molecular weight of 313.36 g/mol. Its IUPAC name is 3-(1,3-dihydroisoindol-2-yl)-4-fluorothieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(1,3-dihydroisoindol-2-yl)-4-fluorothieno[2,3-c]pyridine-2-carboxamide
PubChem CID175936758
Molecular FormulaC16H12FN3OS
Molecular Weight313.36 g/mol
Exact Mass313.07
IUPAC Name3-(1,3-dihydroisoindol-2-yl)-4-fluorothieno[2,3-c]pyridine-2-carboxamide
SMILESNC(=O)c1sc2cncc(F)c2c1N1Cc2ccccc2C1
InChIInChI=1S/C16H12FN3OS/c17-11-5-19-6-12-13(11)14(15(22-12)16(18)21)20-7-9-3-1-2-4-10(9)8-20/h1-6H,7-8H2,(H2,18,21)
InChIKeyAHMBUBSEBATQJT-UHFFFAOYSA-N
XLogP3.05
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dihydroisoindol-2-yl)-4-fluorothieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 3-(1,3-dihydroisoindol-2-yl)-4-fluorothieno[2,3-c]pyridine-2-carboxamide (CID 175936758) is 3-(1,3-dihydroisoindol-2-yl)-4-fluorothieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 3-(1,3-dihydroisoindol-2-yl)-4-fluorothieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 3-(1,3-dihydroisoindol-2-yl)-4-fluorothieno[2,3-c]pyridine-2-carboxamide is NC(=O)c1sc2cncc(F)c2c1N1Cc2ccccc2C1.
What is the InChIKey of 3-(1,3-dihydroisoindol-2-yl)-4-fluorothieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is AHMBUBSEBATQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3OS/c17-11-5-19-6-12-13(11)14(15(22-12)16(18)21)20-7-9-3-1-2-4-10(9)8-20/h1-6H,7-8H2,(H2,18,21).
What are the key properties of 3-(1,3-dihydroisoindol-2-yl)-4-fluorothieno[2,3-c]pyridine-2-carboxamide?
3-(1,3-dihydroisoindol-2-yl)-4-fluorothieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dihydroisoindol-2-yl)-4-fluorothieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 175936758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).