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

C32H32FN7O2 — CID 118454056

IUPAC3-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-(4-morpholin-4-ylpiperidin-1-yl)quinoxaline-6-carboxamide
SMILESO=C(NCc1ccc2nccn2c1)c1ccc2nc(N3CCC(N4CCOCC4)CC3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C32H32FN7O2/c33-25-5-2-23(3-6-25)30-31(39-12-9-26(10-13-39)38-15-17-42-18-16-38)37-27-7-4-24(19-28(27)36-30)32(41)35-20-22-1-8-29-34-11-14-40(29)21-22/h1-8,11,14,19,21,26H,9-10,12-13,15-18,20H2,(H,35,41)
InChIKeyFCHIWUYDAHQBMD-UHFFFAOYSA-N
MW565.65 g/mol
LogP4.31
Rot. Bonds6

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

3-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-(4-morpholin-4-ylpiperidin-1-yl)quinoxaline-6-carboxamide (PubChem CID 118454056) has the molecular formula C32H32FN7O2 and a molecular weight of 565.65 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-(4-morpholin-4-ylpiperidin-1-yl)quinoxaline-6-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-(4-morpholin-4-ylpiperidin-1-yl)quinoxaline-6-carboxamide
PubChem CID118454056
Molecular FormulaC32H32FN7O2
Molecular Weight565.65 g/mol
Exact Mass565.26
IUPAC Name3-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-(4-morpholin-4-ylpiperidin-1-yl)quinoxaline-6-carboxamide
SMILESO=C(NCc1ccc2nccn2c1)c1ccc2nc(N3CCC(N4CCOCC4)CC3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C32H32FN7O2/c33-25-5-2-23(3-6-25)30-31(39-12-9-26(10-13-39)38-15-17-42-18-16-38)37-27-7-4-24(19-28(27)36-30)32(41)35-20-22-1-8-29-34-11-14-40(29)21-22/h1-8,11,14,19,21,26H,9-10,12-13,15-18,20H2,(H,35,41)
InChIKeyFCHIWUYDAHQBMD-UHFFFAOYSA-N
XLogP4.31
TPSA87.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500565.65
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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-(4-morpholin-4-ylpiperidin-1-yl)quinoxaline-6-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-(4-morpholin-4-ylpiperidin-1-yl)quinoxaline-6-carboxamide (CID 118454056) is 3-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-(4-morpholin-4-ylpiperidin-1-yl)quinoxaline-6-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-(4-morpholin-4-ylpiperidin-1-yl)quinoxaline-6-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-(4-morpholin-4-ylpiperidin-1-yl)quinoxaline-6-carboxamide is O=C(NCc1ccc2nccn2c1)c1ccc2nc(N3CCC(N4CCOCC4)CC3)c(-c3ccc(F)cc3)nc2c1.
What is the InChIKey of 3-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-(4-morpholin-4-ylpiperidin-1-yl)quinoxaline-6-carboxamide?
The InChIKey is FCHIWUYDAHQBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32FN7O2/c33-25-5-2-23(3-6-25)30-31(39-12-9-26(10-13-39)38-15-17-42-18-16-38)37-27-7-4-24(19-28(27)36-30)32(41)35-20-22-1-8-29-34-11-14-40(29)21-22/h1-8,11,14,19,21,26H,9-10,12-13,15-18,20H2,(H,35,41).
What are the key properties of 3-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-(4-morpholin-4-ylpiperidin-1-yl)quinoxaline-6-carboxamide?
3-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-(4-morpholin-4-ylpiperidin-1-yl)quinoxaline-6-carboxamide has a molecular weight of 565.65 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-(4-morpholin-4-ylpiperidin-1-yl)quinoxaline-6-carboxamide is sourced from PubChem (CID 118454056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).