4-[3-fluoro-5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]morpholine

C21H17F2N5O — CID 86268191

IUPAC4-[3-fluoro-5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]morpholine
SMILESFc1ccc(-n2c(-c3cnc(N4CCOCC4)c(F)c3)nc3ccncc32)cc1
InChIInChI=1S/C21H17F2N5O/c22-15-1-3-16(4-2-15)28-19-13-24-6-5-18(19)26-20(28)14-11-17(23)21(25-12-14)27-7-9-29-10-8-27/h1-6,11-13H,7-10H2
InChIKeyFZPXYYFMIBXZCN-UHFFFAOYSA-N
MW393.40 g/mol
LogP3.60
Rot. Bonds3

About 4-[3-fluoro-5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]morpholine

4-[3-fluoro-5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]morpholine (PubChem CID 86268191) has the molecular formula C21H17F2N5O and a molecular weight of 393.40 g/mol. Its IUPAC name is 4-[3-fluoro-5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[3-fluoro-5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]morpholine
PubChem CID86268191
Molecular FormulaC21H17F2N5O
Molecular Weight393.40 g/mol
Exact Mass393.14
IUPAC Name4-[3-fluoro-5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]morpholine
SMILESFc1ccc(-n2c(-c3cnc(N4CCOCC4)c(F)c3)nc3ccncc32)cc1
InChIInChI=1S/C21H17F2N5O/c22-15-1-3-16(4-2-15)28-19-13-24-6-5-18(19)26-20(28)14-11-17(23)21(25-12-14)27-7-9-29-10-8-27/h1-6,11-13H,7-10H2
InChIKeyFZPXYYFMIBXZCN-UHFFFAOYSA-N
XLogP3.60
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]morpholine?
The IUPAC name of 4-[3-fluoro-5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]morpholine (CID 86268191) is 4-[3-fluoro-5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[3-fluoro-5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]morpholine?
The canonical SMILES for 4-[3-fluoro-5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]morpholine is Fc1ccc(-n2c(-c3cnc(N4CCOCC4)c(F)c3)nc3ccncc32)cc1.
What is the InChIKey of 4-[3-fluoro-5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]morpholine?
The InChIKey is FZPXYYFMIBXZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N5O/c22-15-1-3-16(4-2-15)28-19-13-24-6-5-18(19)26-20(28)14-11-17(23)21(25-12-14)27-7-9-29-10-8-27/h1-6,11-13H,7-10H2.
What are the key properties of 4-[3-fluoro-5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]morpholine?
4-[3-fluoro-5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]morpholine has a molecular weight of 393.40 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoro-5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]morpholine is sourced from PubChem (CID 86268191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).