3-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-morpholin-4-ylquinoxaline-6-carboxamide

C27H23FN6O2 — CID 123799883

IUPAC3-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-morpholin-4-ylquinoxaline-6-carboxamide
SMILESO=C(NCc1ccc2nccn2c1)c1ccc2nc(N3CCOCC3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C27H23FN6O2/c28-21-5-2-19(3-6-21)25-26(33-11-13-36-14-12-33)32-22-7-4-20(15-23(22)31-25)27(35)30-16-18-1-8-24-29-9-10-34(24)17-18/h1-10,15,17H,11-14,16H2,(H,30,35)
InChIKeyCUSVAOOPGZVBER-UHFFFAOYSA-N
MW482.52 g/mol
LogP3.85
Rot. Bonds5

About 3-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-morpholin-4-ylquinoxaline-6-carboxamide

3-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-morpholin-4-ylquinoxaline-6-carboxamide (PubChem CID 123799883) has the molecular formula C27H23FN6O2 and a molecular weight of 482.52 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-morpholin-4-ylquinoxaline-6-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-morpholin-4-ylquinoxaline-6-carboxamide
PubChem CID123799883
Molecular FormulaC27H23FN6O2
Molecular Weight482.52 g/mol
Exact Mass482.19
IUPAC Name3-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-morpholin-4-ylquinoxaline-6-carboxamide
SMILESO=C(NCc1ccc2nccn2c1)c1ccc2nc(N3CCOCC3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C27H23FN6O2/c28-21-5-2-19(3-6-21)25-26(33-11-13-36-14-12-33)32-22-7-4-20(15-23(22)31-25)27(35)30-16-18-1-8-24-29-9-10-34(24)17-18/h1-10,15,17H,11-14,16H2,(H,30,35)
InChIKeyCUSVAOOPGZVBER-UHFFFAOYSA-N
XLogP3.85
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.52
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-morpholin-4-ylquinoxaline-6-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-morpholin-4-ylquinoxaline-6-carboxamide (CID 123799883) is 3-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-morpholin-4-ylquinoxaline-6-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-morpholin-4-ylquinoxaline-6-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-morpholin-4-ylquinoxaline-6-carboxamide is O=C(NCc1ccc2nccn2c1)c1ccc2nc(N3CCOCC3)c(-c3ccc(F)cc3)nc2c1.
What is the InChIKey of 3-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-morpholin-4-ylquinoxaline-6-carboxamide?
The InChIKey is CUSVAOOPGZVBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN6O2/c28-21-5-2-19(3-6-21)25-26(33-11-13-36-14-12-33)32-22-7-4-20(15-23(22)31-25)27(35)30-16-18-1-8-24-29-9-10-34(24)17-18/h1-10,15,17H,11-14,16H2,(H,30,35).
What are the key properties of 3-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-morpholin-4-ylquinoxaline-6-carboxamide?
3-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-morpholin-4-ylquinoxaline-6-carboxamide has a molecular weight of 482.52 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-morpholin-4-ylquinoxaline-6-carboxamide is sourced from PubChem (CID 123799883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).