7-(4,4-difluoropiperidine-1-carbonyl)-1-ethyl-4-(2-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-3H-quinoxalin-2-one

C23H24F2N6O3 — CID 170175887

IUPAC7-(4,4-difluoropiperidine-1-carbonyl)-1-ethyl-4-(2-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-3H-quinoxalin-2-one
SMILESCCN1C(=O)CN(c2ccn3c(=O)n(C)nc3c2)c2ccc(C(=O)N3CCC(F)(F)CC3)cc21
InChIInChI=1S/C23H24F2N6O3/c1-3-29-18-12-15(21(33)28-10-7-23(24,25)8-11-28)4-5-17(18)31(14-20(29)32)16-6-9-30-19(13-16)26-27(2)22(30)34/h4-6,9,12-13H,3,7-8,10-11,14H2,1-2H3
InChIKeyALAFQQLIGXQBJH-UHFFFAOYSA-N
MW470.48 g/mol
LogP2.41
Rot. Bonds3

About 7-(4,4-difluoropiperidine-1-carbonyl)-1-ethyl-4-(2-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-3H-quinoxalin-2-one

7-(4,4-difluoropiperidine-1-carbonyl)-1-ethyl-4-(2-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-3H-quinoxalin-2-one (PubChem CID 170175887) has the molecular formula C23H24F2N6O3 and a molecular weight of 470.48 g/mol. Its IUPAC name is 7-(4,4-difluoropiperidine-1-carbonyl)-1-ethyl-4-(2-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-3H-quinoxalin-2-one.

Molecular Properties

Compound Name7-(4,4-difluoropiperidine-1-carbonyl)-1-ethyl-4-(2-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-3H-quinoxalin-2-one
PubChem CID170175887
Molecular FormulaC23H24F2N6O3
Molecular Weight470.48 g/mol
Exact Mass470.19
IUPAC Name7-(4,4-difluoropiperidine-1-carbonyl)-1-ethyl-4-(2-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-3H-quinoxalin-2-one
SMILESCCN1C(=O)CN(c2ccn3c(=O)n(C)nc3c2)c2ccc(C(=O)N3CCC(F)(F)CC3)cc21
InChIInChI=1S/C23H24F2N6O3/c1-3-29-18-12-15(21(33)28-10-7-23(24,25)8-11-28)4-5-17(18)31(14-20(29)32)16-6-9-30-19(13-16)26-27(2)22(30)34/h4-6,9,12-13H,3,7-8,10-11,14H2,1-2H3
InChIKeyALAFQQLIGXQBJH-UHFFFAOYSA-N
XLogP2.41
TPSA83.16 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.48
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7-(4,4-difluoropiperidine-1-carbonyl)-1-ethyl-4-(2-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-3H-quinoxalin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(4,4-difluoropiperidine-1-carbonyl)-1-ethyl-4-(2-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-3H-quinoxalin-2-one?
The IUPAC name of 7-(4,4-difluoropiperidine-1-carbonyl)-1-ethyl-4-(2-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-3H-quinoxalin-2-one (CID 170175887) is 7-(4,4-difluoropiperidine-1-carbonyl)-1-ethyl-4-(2-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-3H-quinoxalin-2-one.
What is the SMILES notation for 7-(4,4-difluoropiperidine-1-carbonyl)-1-ethyl-4-(2-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-3H-quinoxalin-2-one?
The canonical SMILES for 7-(4,4-difluoropiperidine-1-carbonyl)-1-ethyl-4-(2-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-3H-quinoxalin-2-one is CCN1C(=O)CN(c2ccn3c(=O)n(C)nc3c2)c2ccc(C(=O)N3CCC(F)(F)CC3)cc21.
What is the InChIKey of 7-(4,4-difluoropiperidine-1-carbonyl)-1-ethyl-4-(2-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-3H-quinoxalin-2-one?
The InChIKey is ALAFQQLIGXQBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N6O3/c1-3-29-18-12-15(21(33)28-10-7-23(24,25)8-11-28)4-5-17(18)31(14-20(29)32)16-6-9-30-19(13-16)26-27(2)22(30)34/h4-6,9,12-13H,3,7-8,10-11,14H2,1-2H3.
What are the key properties of 7-(4,4-difluoropiperidine-1-carbonyl)-1-ethyl-4-(2-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-3H-quinoxalin-2-one?
7-(4,4-difluoropiperidine-1-carbonyl)-1-ethyl-4-(2-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-3H-quinoxalin-2-one has a molecular weight of 470.48 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4,4-difluoropiperidine-1-carbonyl)-1-ethyl-4-(2-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-3H-quinoxalin-2-one is sourced from PubChem (CID 170175887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).