4-[5-(5-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)-2-fluoro-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridin-3-amine

C23H23FN6S — CID 58266370

IUPAC4-[5-(5-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)-2-fluoro-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridin-3-amine
SMILESCCN1CCc2sc(-c3cnc(F)c(-c4cc(-c5cnn(C)c5)ncc4N)c3)cc2C1
InChIInChI=1S/C23H23FN6S/c1-3-30-5-4-21-15(13-30)7-22(31-21)14-6-18(23(24)27-9-14)17-8-20(26-11-19(17)25)16-10-28-29(2)12-16/h6-12H,3-5,13,25H2,1-2H3
InChIKeyVTSJINPHYRTQJO-UHFFFAOYSA-N
MW434.54 g/mol
LogP4.37
Rot. Bonds4

About 4-[5-(5-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)-2-fluoro-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridin-3-amine

4-[5-(5-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)-2-fluoro-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridin-3-amine (PubChem CID 58266370) has the molecular formula C23H23FN6S and a molecular weight of 434.54 g/mol. Its IUPAC name is 4-[5-(5-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)-2-fluoro-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridin-3-amine.

Molecular Properties

Compound Name4-[5-(5-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)-2-fluoro-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridin-3-amine
PubChem CID58266370
Molecular FormulaC23H23FN6S
Molecular Weight434.54 g/mol
Exact Mass434.17
IUPAC Name4-[5-(5-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)-2-fluoro-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridin-3-amine
SMILESCCN1CCc2sc(-c3cnc(F)c(-c4cc(-c5cnn(C)c5)ncc4N)c3)cc2C1
InChIInChI=1S/C23H23FN6S/c1-3-30-5-4-21-15(13-30)7-22(31-21)14-6-18(23(24)27-9-14)17-8-20(26-11-19(17)25)16-10-28-29(2)12-16/h6-12H,3-5,13,25H2,1-2H3
InChIKeyVTSJINPHYRTQJO-UHFFFAOYSA-N
XLogP4.37
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 4-[5-(5-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)-2-fluoro-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(5-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)-2-fluoro-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridin-3-amine?
The IUPAC name of 4-[5-(5-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)-2-fluoro-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridin-3-amine (CID 58266370) is 4-[5-(5-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)-2-fluoro-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridin-3-amine.
What is the SMILES notation for 4-[5-(5-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)-2-fluoro-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridin-3-amine?
The canonical SMILES for 4-[5-(5-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)-2-fluoro-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridin-3-amine is CCN1CCc2sc(-c3cnc(F)c(-c4cc(-c5cnn(C)c5)ncc4N)c3)cc2C1.
What is the InChIKey of 4-[5-(5-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)-2-fluoro-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridin-3-amine?
The InChIKey is VTSJINPHYRTQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN6S/c1-3-30-5-4-21-15(13-30)7-22(31-21)14-6-18(23(24)27-9-14)17-8-20(26-11-19(17)25)16-10-28-29(2)12-16/h6-12H,3-5,13,25H2,1-2H3.
What are the key properties of 4-[5-(5-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)-2-fluoro-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridin-3-amine?
4-[5-(5-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)-2-fluoro-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridin-3-amine has a molecular weight of 434.54 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(5-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)-2-fluoro-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridin-3-amine is sourced from PubChem (CID 58266370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).