6-fluoro-3-[5-(2-piperidin-1-ylacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one

C22H24FN5O2 — CID 135980575

IUPAC6-fluoro-3-[5-(2-piperidin-1-ylacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one
SMILESO=C(CN1CCCCC1)N1CCc2nc(-c3cc4cc(F)ccc4[nH]c3=O)[nH]c2C1
InChIInChI=1S/C22H24FN5O2/c23-15-4-5-17-14(10-15)11-16(22(30)26-17)21-24-18-6-9-28(12-19(18)25-21)20(29)13-27-7-2-1-3-8-27/h4-5,10-11H,1-3,6-9,12-13H2,(H,24,25)(H,26,30)
InChIKeyXUYMGIXNPAOATI-UHFFFAOYSA-N
MW409.47 g/mol
LogP2.43
Rot. Bonds3

About 6-fluoro-3-[5-(2-piperidin-1-ylacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one

6-fluoro-3-[5-(2-piperidin-1-ylacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one (PubChem CID 135980575) has the molecular formula C22H24FN5O2 and a molecular weight of 409.47 g/mol. Its IUPAC name is 6-fluoro-3-[5-(2-piperidin-1-ylacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-fluoro-3-[5-(2-piperidin-1-ylacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one
PubChem CID135980575
Molecular FormulaC22H24FN5O2
Molecular Weight409.47 g/mol
Exact Mass409.19
IUPAC Name6-fluoro-3-[5-(2-piperidin-1-ylacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one
SMILESO=C(CN1CCCCC1)N1CCc2nc(-c3cc4cc(F)ccc4[nH]c3=O)[nH]c2C1
InChIInChI=1S/C22H24FN5O2/c23-15-4-5-17-14(10-15)11-16(22(30)26-17)21-24-18-6-9-28(12-19(18)25-21)20(29)13-27-7-2-1-3-8-27/h4-5,10-11H,1-3,6-9,12-13H2,(H,24,25)(H,26,30)
InChIKeyXUYMGIXNPAOATI-UHFFFAOYSA-N
XLogP2.43
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[5-(2-piperidin-1-ylacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one?
The IUPAC name of 6-fluoro-3-[5-(2-piperidin-1-ylacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one (CID 135980575) is 6-fluoro-3-[5-(2-piperidin-1-ylacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one.
What is the SMILES notation for 6-fluoro-3-[5-(2-piperidin-1-ylacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one?
The canonical SMILES for 6-fluoro-3-[5-(2-piperidin-1-ylacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one is O=C(CN1CCCCC1)N1CCc2nc(-c3cc4cc(F)ccc4[nH]c3=O)[nH]c2C1.
What is the InChIKey of 6-fluoro-3-[5-(2-piperidin-1-ylacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one?
The InChIKey is XUYMGIXNPAOATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O2/c23-15-4-5-17-14(10-15)11-16(22(30)26-17)21-24-18-6-9-28(12-19(18)25-21)20(29)13-27-7-2-1-3-8-27/h4-5,10-11H,1-3,6-9,12-13H2,(H,24,25)(H,26,30).
What are the key properties of 6-fluoro-3-[5-(2-piperidin-1-ylacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one?
6-fluoro-3-[5-(2-piperidin-1-ylacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one has a molecular weight of 409.47 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[5-(2-piperidin-1-ylacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one is sourced from PubChem (CID 135980575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).