2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-(2,2,6,6-tetramethylpiperidin-4-yl)thieno[2,3-b]pyridine;formamide

C25H30FN5OS — CID 170747672

IUPAC2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-(2,2,6,6-tetramethylpiperidin-4-yl)thieno[2,3-b]pyridine;formamide
SMILESCc1cn2cc(-c3cc4ccc(C5CC(C)(C)NC(C)(C)C5)nc4s3)cc(F)c2n1.NC=O
InChIInChI=1S/C24H27FN4S.CH3NO/c1-14-12-29-13-16(8-18(25)21(29)26-14)20-9-15-6-7-19(27-22(15)30-20)17-10-23(2,3)28-24(4,5)11-17;2-1-3/h6-9,12-13,17,28H,10-11H2,1-5H3;1H,(H2,2,3)
InChIKeyMKMOMFWSSISDHP-UHFFFAOYSA-N
MW467.61 g/mol
LogP5.18
Rot. Bonds2

About 2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-(2,2,6,6-tetramethylpiperidin-4-yl)thieno[2,3-b]pyridine;formamide

2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-(2,2,6,6-tetramethylpiperidin-4-yl)thieno[2,3-b]pyridine;formamide (PubChem CID 170747672) has the molecular formula C25H30FN5OS and a molecular weight of 467.61 g/mol. Its IUPAC name is 2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-(2,2,6,6-tetramethylpiperidin-4-yl)thieno[2,3-b]pyridine;formamide.

Molecular Properties

Compound Name2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-(2,2,6,6-tetramethylpiperidin-4-yl)thieno[2,3-b]pyridine;formamide
PubChem CID170747672
Molecular FormulaC25H30FN5OS
Molecular Weight467.61 g/mol
Exact Mass467.22
IUPAC Name2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-(2,2,6,6-tetramethylpiperidin-4-yl)thieno[2,3-b]pyridine;formamide
SMILESCc1cn2cc(-c3cc4ccc(C5CC(C)(C)NC(C)(C)C5)nc4s3)cc(F)c2n1.NC=O
InChIInChI=1S/C24H27FN4S.CH3NO/c1-14-12-29-13-16(8-18(25)21(29)26-14)20-9-15-6-7-19(27-22(15)30-20)17-10-23(2,3)28-24(4,5)11-17;2-1-3/h6-9,12-13,17,28H,10-11H2,1-5H3;1H,(H2,2,3)
InChIKeyMKMOMFWSSISDHP-UHFFFAOYSA-N
XLogP5.18
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.61
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-(2,2,6,6-tetramethylpiperidin-4-yl)thieno[2,3-b]pyridine;formamide?
The IUPAC name of 2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-(2,2,6,6-tetramethylpiperidin-4-yl)thieno[2,3-b]pyridine;formamide (CID 170747672) is 2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-(2,2,6,6-tetramethylpiperidin-4-yl)thieno[2,3-b]pyridine;formamide.
What is the SMILES notation for 2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-(2,2,6,6-tetramethylpiperidin-4-yl)thieno[2,3-b]pyridine;formamide?
The canonical SMILES for 2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-(2,2,6,6-tetramethylpiperidin-4-yl)thieno[2,3-b]pyridine;formamide is Cc1cn2cc(-c3cc4ccc(C5CC(C)(C)NC(C)(C)C5)nc4s3)cc(F)c2n1.NC=O.
What is the InChIKey of 2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-(2,2,6,6-tetramethylpiperidin-4-yl)thieno[2,3-b]pyridine;formamide?
The InChIKey is MKMOMFWSSISDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4S.CH3NO/c1-14-12-29-13-16(8-18(25)21(29)26-14)20-9-15-6-7-19(27-22(15)30-20)17-10-23(2,3)28-24(4,5)11-17;2-1-3/h6-9,12-13,17,28H,10-11H2,1-5H3;1H,(H2,2,3).
What are the key properties of 2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-(2,2,6,6-tetramethylpiperidin-4-yl)thieno[2,3-b]pyridine;formamide?
2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-(2,2,6,6-tetramethylpiperidin-4-yl)thieno[2,3-b]pyridine;formamide has a molecular weight of 467.61 g/mol, XLogP of 5.18, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-(2,2,6,6-tetramethylpiperidin-4-yl)thieno[2,3-b]pyridine;formamide is sourced from PubChem (CID 170747672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).