6-fluoro-2-(oxan-4-yl)-7-piperidin-4-yl-1H-imidazo[4,5-b]pyridine

C16H21FN4O — CID 164921669

IUPAC6-fluoro-2-(oxan-4-yl)-7-piperidin-4-yl-1H-imidazo[4,5-b]pyridine
SMILESFc1cnc2nc(C3CCOCC3)[nH]c2c1C1CCNCC1
InChIInChI=1S/C16H21FN4O/c17-12-9-19-16-14(13(12)10-1-5-18-6-2-10)20-15(21-16)11-3-7-22-8-4-11/h9-11,18H,1-8H2,(H,19,20,21)
InChIKeyRTGMPGDCZMAOMW-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.46
Rot. Bonds2

About 6-fluoro-2-(oxan-4-yl)-7-piperidin-4-yl-1H-imidazo[4,5-b]pyridine

6-fluoro-2-(oxan-4-yl)-7-piperidin-4-yl-1H-imidazo[4,5-b]pyridine (PubChem CID 164921669) has the molecular formula C16H21FN4O and a molecular weight of 304.37 g/mol. Its IUPAC name is 6-fluoro-2-(oxan-4-yl)-7-piperidin-4-yl-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-fluoro-2-(oxan-4-yl)-7-piperidin-4-yl-1H-imidazo[4,5-b]pyridine
PubChem CID164921669
Molecular FormulaC16H21FN4O
Molecular Weight304.37 g/mol
Exact Mass304.17
IUPAC Name6-fluoro-2-(oxan-4-yl)-7-piperidin-4-yl-1H-imidazo[4,5-b]pyridine
SMILESFc1cnc2nc(C3CCOCC3)[nH]c2c1C1CCNCC1
InChIInChI=1S/C16H21FN4O/c17-12-9-19-16-14(13(12)10-1-5-18-6-2-10)20-15(21-16)11-3-7-22-8-4-11/h9-11,18H,1-8H2,(H,19,20,21)
InChIKeyRTGMPGDCZMAOMW-UHFFFAOYSA-N
XLogP2.46
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(oxan-4-yl)-7-piperidin-4-yl-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 6-fluoro-2-(oxan-4-yl)-7-piperidin-4-yl-1H-imidazo[4,5-b]pyridine (CID 164921669) is 6-fluoro-2-(oxan-4-yl)-7-piperidin-4-yl-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-fluoro-2-(oxan-4-yl)-7-piperidin-4-yl-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 6-fluoro-2-(oxan-4-yl)-7-piperidin-4-yl-1H-imidazo[4,5-b]pyridine is Fc1cnc2nc(C3CCOCC3)[nH]c2c1C1CCNCC1.
What is the InChIKey of 6-fluoro-2-(oxan-4-yl)-7-piperidin-4-yl-1H-imidazo[4,5-b]pyridine?
The InChIKey is RTGMPGDCZMAOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4O/c17-12-9-19-16-14(13(12)10-1-5-18-6-2-10)20-15(21-16)11-3-7-22-8-4-11/h9-11,18H,1-8H2,(H,19,20,21).
What are the key properties of 6-fluoro-2-(oxan-4-yl)-7-piperidin-4-yl-1H-imidazo[4,5-b]pyridine?
6-fluoro-2-(oxan-4-yl)-7-piperidin-4-yl-1H-imidazo[4,5-b]pyridine has a molecular weight of 304.37 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(oxan-4-yl)-7-piperidin-4-yl-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 164921669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).