3-(2,4-difluoroanilino)-6-oxo-7-phenyl-N-piperidin-4-ylthieno[2,3-b]pyridine-2-carboxamide

C25H22F2N4O2S — CID 11454451

IUPAC3-(2,4-difluoroanilino)-6-oxo-7-phenyl-N-piperidin-4-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESO=C(NC1CCNCC1)c1sc2c(ccc(=O)n2-c2ccccc2)c1Nc1ccc(F)cc1F
InChIInChI=1S/C25H22F2N4O2S/c26-15-6-8-20(19(27)14-15)30-22-18-7-9-21(32)31(17-4-2-1-3-5-17)25(18)34-23(22)24(33)29-16-10-12-28-13-11-16/h1-9,14,16,28,30H,10-13H2,(H,29,33)
InChIKeyUDGPMEPOCRYASM-UHFFFAOYSA-N
MW480.54 g/mol
LogP4.56
Rot. Bonds5

About 3-(2,4-difluoroanilino)-6-oxo-7-phenyl-N-piperidin-4-ylthieno[2,3-b]pyridine-2-carboxamide

3-(2,4-difluoroanilino)-6-oxo-7-phenyl-N-piperidin-4-ylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 11454451) has the molecular formula C25H22F2N4O2S and a molecular weight of 480.54 g/mol. Its IUPAC name is 3-(2,4-difluoroanilino)-6-oxo-7-phenyl-N-piperidin-4-ylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(2,4-difluoroanilino)-6-oxo-7-phenyl-N-piperidin-4-ylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID11454451
Molecular FormulaC25H22F2N4O2S
Molecular Weight480.54 g/mol
Exact Mass480.14
IUPAC Name3-(2,4-difluoroanilino)-6-oxo-7-phenyl-N-piperidin-4-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESO=C(NC1CCNCC1)c1sc2c(ccc(=O)n2-c2ccccc2)c1Nc1ccc(F)cc1F
InChIInChI=1S/C25H22F2N4O2S/c26-15-6-8-20(19(27)14-15)30-22-18-7-9-21(32)31(17-4-2-1-3-5-17)25(18)34-23(22)24(33)29-16-10-12-28-13-11-16/h1-9,14,16,28,30H,10-13H2,(H,29,33)
InChIKeyUDGPMEPOCRYASM-UHFFFAOYSA-N
XLogP4.56
TPSA75.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.54
LogP ≤ 54.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluoroanilino)-6-oxo-7-phenyl-N-piperidin-4-ylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-(2,4-difluoroanilino)-6-oxo-7-phenyl-N-piperidin-4-ylthieno[2,3-b]pyridine-2-carboxamide (CID 11454451) is 3-(2,4-difluoroanilino)-6-oxo-7-phenyl-N-piperidin-4-ylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-(2,4-difluoroanilino)-6-oxo-7-phenyl-N-piperidin-4-ylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-(2,4-difluoroanilino)-6-oxo-7-phenyl-N-piperidin-4-ylthieno[2,3-b]pyridine-2-carboxamide is O=C(NC1CCNCC1)c1sc2c(ccc(=O)n2-c2ccccc2)c1Nc1ccc(F)cc1F.
What is the InChIKey of 3-(2,4-difluoroanilino)-6-oxo-7-phenyl-N-piperidin-4-ylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is UDGPMEPOCRYASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F2N4O2S/c26-15-6-8-20(19(27)14-15)30-22-18-7-9-21(32)31(17-4-2-1-3-5-17)25(18)34-23(22)24(33)29-16-10-12-28-13-11-16/h1-9,14,16,28,30H,10-13H2,(H,29,33).
What are the key properties of 3-(2,4-difluoroanilino)-6-oxo-7-phenyl-N-piperidin-4-ylthieno[2,3-b]pyridine-2-carboxamide?
3-(2,4-difluoroanilino)-6-oxo-7-phenyl-N-piperidin-4-ylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 480.54 g/mol, XLogP of 4.56, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluoroanilino)-6-oxo-7-phenyl-N-piperidin-4-ylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 11454451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).