3-(4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)quinoxaline-6-carboxamide

C28H25FN6O2 — CID 118463946

IUPAC3-(4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)quinoxaline-6-carboxamide
SMILESO=C(NCc1ccc2nccn2c1)c1ccc2nc(N3CCC(O)CC3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C28H25FN6O2/c29-21-5-2-19(3-6-21)26-27(34-12-9-22(36)10-13-34)33-23-7-4-20(15-24(23)32-26)28(37)31-16-18-1-8-25-30-11-14-35(25)17-18/h1-8,11,14-15,17,22,36H,9-10,12-13,16H2,(H,31,37)
InChIKeyLUTMTPHRTYTHIQ-UHFFFAOYSA-N
MW496.55 g/mol
LogP3.97
Rot. Bonds5

About 3-(4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)quinoxaline-6-carboxamide

3-(4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)quinoxaline-6-carboxamide (PubChem CID 118463946) has the molecular formula C28H25FN6O2 and a molecular weight of 496.55 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)quinoxaline-6-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)quinoxaline-6-carboxamide
PubChem CID118463946
Molecular FormulaC28H25FN6O2
Molecular Weight496.55 g/mol
Exact Mass496.20
IUPAC Name3-(4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)quinoxaline-6-carboxamide
SMILESO=C(NCc1ccc2nccn2c1)c1ccc2nc(N3CCC(O)CC3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C28H25FN6O2/c29-21-5-2-19(3-6-21)26-27(34-12-9-22(36)10-13-34)33-23-7-4-20(15-24(23)32-26)28(37)31-16-18-1-8-25-30-11-14-35(25)17-18/h1-8,11,14-15,17,22,36H,9-10,12-13,16H2,(H,31,37)
InChIKeyLUTMTPHRTYTHIQ-UHFFFAOYSA-N
XLogP3.97
TPSA95.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.55
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)quinoxaline-6-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)quinoxaline-6-carboxamide (CID 118463946) is 3-(4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)quinoxaline-6-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)quinoxaline-6-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)quinoxaline-6-carboxamide is O=C(NCc1ccc2nccn2c1)c1ccc2nc(N3CCC(O)CC3)c(-c3ccc(F)cc3)nc2c1.
What is the InChIKey of 3-(4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)quinoxaline-6-carboxamide?
The InChIKey is LUTMTPHRTYTHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25FN6O2/c29-21-5-2-19(3-6-21)26-27(34-12-9-22(36)10-13-34)33-23-7-4-20(15-24(23)32-26)28(37)31-16-18-1-8-25-30-11-14-35(25)17-18/h1-8,11,14-15,17,22,36H,9-10,12-13,16H2,(H,31,37).
What are the key properties of 3-(4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)quinoxaline-6-carboxamide?
3-(4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)quinoxaline-6-carboxamide has a molecular weight of 496.55 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)quinoxaline-6-carboxamide is sourced from PubChem (CID 118463946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).