5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(2,3,3-trifluoropropyl)thiophene-2-carboxamide

C15H12F3N3OS — CID 162559380

IUPAC5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(2,3,3-trifluoropropyl)thiophene-2-carboxamide
SMILESO=C(NCC(F)C(F)F)c1ccc(-c2ccnc3[nH]ccc23)s1
InChIInChI=1S/C15H12F3N3OS/c16-10(13(17)18)7-21-15(22)12-2-1-11(23-12)8-3-5-19-14-9(8)4-6-20-14/h1-6,10,13H,7H2,(H,19,20)(H,21,22)
InChIKeyOSPQHWZVFSJPCQ-UHFFFAOYSA-N
MW339.34 g/mol
LogP3.62
Rot. Bonds5

About 5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(2,3,3-trifluoropropyl)thiophene-2-carboxamide

5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(2,3,3-trifluoropropyl)thiophene-2-carboxamide (PubChem CID 162559380) has the molecular formula C15H12F3N3OS and a molecular weight of 339.34 g/mol. Its IUPAC name is 5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(2,3,3-trifluoropropyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(2,3,3-trifluoropropyl)thiophene-2-carboxamide
PubChem CID162559380
Molecular FormulaC15H12F3N3OS
Molecular Weight339.34 g/mol
Exact Mass339.07
IUPAC Name5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(2,3,3-trifluoropropyl)thiophene-2-carboxamide
SMILESO=C(NCC(F)C(F)F)c1ccc(-c2ccnc3[nH]ccc23)s1
InChIInChI=1S/C15H12F3N3OS/c16-10(13(17)18)7-21-15(22)12-2-1-11(23-12)8-3-5-19-14-9(8)4-6-20-14/h1-6,10,13H,7H2,(H,19,20)(H,21,22)
InChIKeyOSPQHWZVFSJPCQ-UHFFFAOYSA-N
XLogP3.62
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.34
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(2,3,3-trifluoropropyl)thiophene-2-carboxamide?
The IUPAC name of 5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(2,3,3-trifluoropropyl)thiophene-2-carboxamide (CID 162559380) is 5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(2,3,3-trifluoropropyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(2,3,3-trifluoropropyl)thiophene-2-carboxamide?
The canonical SMILES for 5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(2,3,3-trifluoropropyl)thiophene-2-carboxamide is O=C(NCC(F)C(F)F)c1ccc(-c2ccnc3[nH]ccc23)s1.
What is the InChIKey of 5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(2,3,3-trifluoropropyl)thiophene-2-carboxamide?
The InChIKey is OSPQHWZVFSJPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3OS/c16-10(13(17)18)7-21-15(22)12-2-1-11(23-12)8-3-5-19-14-9(8)4-6-20-14/h1-6,10,13H,7H2,(H,19,20)(H,21,22).
What are the key properties of 5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(2,3,3-trifluoropropyl)thiophene-2-carboxamide?
5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(2,3,3-trifluoropropyl)thiophene-2-carboxamide has a molecular weight of 339.34 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(2,3,3-trifluoropropyl)thiophene-2-carboxamide is sourced from PubChem (CID 162559380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).