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

C22H24FN5O2 — CID 135980567

IUPAC5-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(-c3cc4c(F)cccc4[nH]c3=O)[nH]c2C1
InChIInChI=1S/C22H24FN5O2/c23-16-5-4-6-17-14(16)11-15(22(30)26-17)21-24-18-7-10-28(12-19(18)25-21)20(29)13-27-8-2-1-3-9-27/h4-6,11H,1-3,7-10,12-13H2,(H,24,25)(H,26,30)
InChIKeyPTMJZVUVIWPFOH-UHFFFAOYSA-N
MW409.47 g/mol
LogP2.43
Rot. Bonds3

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

5-fluoro-3-[5-(2-piperidin-1-ylacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one (PubChem CID 135980567) has the molecular formula C22H24FN5O2 and a molecular weight of 409.47 g/mol. Its IUPAC name is 5-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 Name5-fluoro-3-[5-(2-piperidin-1-ylacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one
PubChem CID135980567
Molecular FormulaC22H24FN5O2
Molecular Weight409.47 g/mol
Exact Mass409.19
IUPAC Name5-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(-c3cc4c(F)cccc4[nH]c3=O)[nH]c2C1
InChIInChI=1S/C22H24FN5O2/c23-16-5-4-6-17-14(16)11-15(22(30)26-17)21-24-18-7-10-28(12-19(18)25-21)20(29)13-27-8-2-1-3-9-27/h4-6,11H,1-3,7-10,12-13H2,(H,24,25)(H,26,30)
InChIKeyPTMJZVUVIWPFOH-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 5-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 5-fluoro-3-[5-(2-piperidin-1-ylacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one (CID 135980567) is 5-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 5-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 5-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(-c3cc4c(F)cccc4[nH]c3=O)[nH]c2C1.
What is the InChIKey of 5-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 PTMJZVUVIWPFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O2/c23-16-5-4-6-17-14(16)11-15(22(30)26-17)21-24-18-7-10-28(12-19(18)25-21)20(29)13-27-8-2-1-3-9-27/h4-6,11H,1-3,7-10,12-13H2,(H,24,25)(H,26,30).
What are the key properties of 5-fluoro-3-[5-(2-piperidin-1-ylacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one?
5-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 5-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 135980567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).