6-[3-fluoro-4-(methylamino)piperidin-1-yl]-1-methyl-3H-imidazo[4,5-b]pyridin-2-one

C13H18FN5O — CID 170788989

IUPAC6-[3-fluoro-4-(methylamino)piperidin-1-yl]-1-methyl-3H-imidazo[4,5-b]pyridin-2-one
SMILESCNC1CCN(c2cnc3[nH]c(=O)n(C)c3c2)CC1F
InChIInChI=1S/C13H18FN5O/c1-15-10-3-4-19(7-9(10)14)8-5-11-12(16-6-8)17-13(20)18(11)2/h5-6,9-10,15H,3-4,7H2,1-2H3,(H,16,17,20)
InChIKeyUGXUXBNDOUMDFX-UHFFFAOYSA-N
MW279.32 g/mol
LogP0.40
Rot. Bonds2

About 6-[3-fluoro-4-(methylamino)piperidin-1-yl]-1-methyl-3H-imidazo[4,5-b]pyridin-2-one

6-[3-fluoro-4-(methylamino)piperidin-1-yl]-1-methyl-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 170788989) has the molecular formula C13H18FN5O and a molecular weight of 279.32 g/mol. Its IUPAC name is 6-[3-fluoro-4-(methylamino)piperidin-1-yl]-1-methyl-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name6-[3-fluoro-4-(methylamino)piperidin-1-yl]-1-methyl-3H-imidazo[4,5-b]pyridin-2-one
PubChem CID170788989
Molecular FormulaC13H18FN5O
Molecular Weight279.32 g/mol
Exact Mass279.15
IUPAC Name6-[3-fluoro-4-(methylamino)piperidin-1-yl]-1-methyl-3H-imidazo[4,5-b]pyridin-2-one
SMILESCNC1CCN(c2cnc3[nH]c(=O)n(C)c3c2)CC1F
InChIInChI=1S/C13H18FN5O/c1-15-10-3-4-19(7-9(10)14)8-5-11-12(16-6-8)17-13(20)18(11)2/h5-6,9-10,15H,3-4,7H2,1-2H3,(H,16,17,20)
InChIKeyUGXUXBNDOUMDFX-UHFFFAOYSA-N
XLogP0.40
TPSA65.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[3-fluoro-4-(methylamino)piperidin-1-yl]-1-methyl-3H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 6-[3-fluoro-4-(methylamino)piperidin-1-yl]-1-methyl-3H-imidazo[4,5-b]pyridin-2-one (CID 170788989) is 6-[3-fluoro-4-(methylamino)piperidin-1-yl]-1-methyl-3H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 6-[3-fluoro-4-(methylamino)piperidin-1-yl]-1-methyl-3H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 6-[3-fluoro-4-(methylamino)piperidin-1-yl]-1-methyl-3H-imidazo[4,5-b]pyridin-2-one is CNC1CCN(c2cnc3[nH]c(=O)n(C)c3c2)CC1F.
What is the InChIKey of 6-[3-fluoro-4-(methylamino)piperidin-1-yl]-1-methyl-3H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is UGXUXBNDOUMDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN5O/c1-15-10-3-4-19(7-9(10)14)8-5-11-12(16-6-8)17-13(20)18(11)2/h5-6,9-10,15H,3-4,7H2,1-2H3,(H,16,17,20).
What are the key properties of 6-[3-fluoro-4-(methylamino)piperidin-1-yl]-1-methyl-3H-imidazo[4,5-b]pyridin-2-one?
6-[3-fluoro-4-(methylamino)piperidin-1-yl]-1-methyl-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 279.32 g/mol, XLogP of 0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-fluoro-4-(methylamino)piperidin-1-yl]-1-methyl-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 170788989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).