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

C27H24FN7O2 — CID 118454008

IUPAC3-(4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)quinoxaline-6-carboxamide
SMILESO=C(NCc1cn2cccnc2n1)c1ccc2nc(N3CCC(O)CC3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C27H24FN7O2/c28-19-5-2-17(3-6-19)24-25(34-12-8-21(36)9-13-34)33-22-7-4-18(14-23(22)32-24)26(37)30-15-20-16-35-11-1-10-29-27(35)31-20/h1-7,10-11,14,16,21,36H,8-9,12-13,15H2,(H,30,37)
InChIKeyHNEJERMVZXVWSQ-UHFFFAOYSA-N
MW497.53 g/mol
LogP3.37
Rot. Bonds5

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

3-(4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)quinoxaline-6-carboxamide (PubChem CID 118454008) has the molecular formula C27H24FN7O2 and a molecular weight of 497.53 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)quinoxaline-6-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)quinoxaline-6-carboxamide
PubChem CID118454008
Molecular FormulaC27H24FN7O2
Molecular Weight497.53 g/mol
Exact Mass497.20
IUPAC Name3-(4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)quinoxaline-6-carboxamide
SMILESO=C(NCc1cn2cccnc2n1)c1ccc2nc(N3CCC(O)CC3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C27H24FN7O2/c28-19-5-2-17(3-6-19)24-25(34-12-8-21(36)9-13-34)33-22-7-4-18(14-23(22)32-24)26(37)30-15-20-16-35-11-1-10-29-27(35)31-20/h1-7,10-11,14,16,21,36H,8-9,12-13,15H2,(H,30,37)
InChIKeyHNEJERMVZXVWSQ-UHFFFAOYSA-N
XLogP3.37
TPSA108.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.53
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)quinoxaline-6-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)quinoxaline-6-carboxamide (CID 118454008) is 3-(4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)quinoxaline-6-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)quinoxaline-6-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)quinoxaline-6-carboxamide is O=C(NCc1cn2cccnc2n1)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]pyrimidin-2-ylmethyl)quinoxaline-6-carboxamide?
The InChIKey is HNEJERMVZXVWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN7O2/c28-19-5-2-17(3-6-19)24-25(34-12-8-21(36)9-13-34)33-22-7-4-18(14-23(22)32-24)26(37)30-15-20-16-35-11-1-10-29-27(35)31-20/h1-7,10-11,14,16,21,36H,8-9,12-13,15H2,(H,30,37).
What are the key properties of 3-(4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)quinoxaline-6-carboxamide?
3-(4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)quinoxaline-6-carboxamide has a molecular weight of 497.53 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 8 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]pyrimidin-2-ylmethyl)quinoxaline-6-carboxamide is sourced from PubChem (CID 118454008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).