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

C22H20FN5O — CID 86267349

IUPAC4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]-2-methylmorpholine
SMILESCC1CN(c2ccc(-c3nc4ccncc4n3-c3ccc(F)cc3)cn2)CCO1
InChIInChI=1S/C22H20FN5O/c1-15-14-27(10-11-29-15)21-7-2-16(12-25-21)22-26-19-8-9-24-13-20(19)28(22)18-5-3-17(23)4-6-18/h2-9,12-13,15H,10-11,14H2,1H3
InChIKeyVOVDYLDLHTVHRH-UHFFFAOYSA-N
MW389.43 g/mol
LogP3.85
Rot. Bonds3

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

4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]-2-methylmorpholine (PubChem CID 86267349) has the molecular formula C22H20FN5O and a molecular weight of 389.43 g/mol. Its IUPAC name is 4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]-2-methylmorpholine.

Molecular Properties

Compound Name4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]-2-methylmorpholine
PubChem CID86267349
Molecular FormulaC22H20FN5O
Molecular Weight389.43 g/mol
Exact Mass389.17
IUPAC Name4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]-2-methylmorpholine
SMILESCC1CN(c2ccc(-c3nc4ccncc4n3-c3ccc(F)cc3)cn2)CCO1
InChIInChI=1S/C22H20FN5O/c1-15-14-27(10-11-29-15)21-7-2-16(12-25-21)22-26-19-8-9-24-13-20(19)28(22)18-5-3-17(23)4-6-18/h2-9,12-13,15H,10-11,14H2,1H3
InChIKeyVOVDYLDLHTVHRH-UHFFFAOYSA-N
XLogP3.85
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]-2-methylmorpholine?
The IUPAC name of 4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]-2-methylmorpholine (CID 86267349) is 4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]-2-methylmorpholine.
What is the SMILES notation for 4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]-2-methylmorpholine?
The canonical SMILES for 4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]-2-methylmorpholine is CC1CN(c2ccc(-c3nc4ccncc4n3-c3ccc(F)cc3)cn2)CCO1.
What is the InChIKey of 4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]-2-methylmorpholine?
The InChIKey is VOVDYLDLHTVHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O/c1-15-14-27(10-11-29-15)21-7-2-16(12-25-21)22-26-19-8-9-24-13-20(19)28(22)18-5-3-17(23)4-6-18/h2-9,12-13,15H,10-11,14H2,1H3.
What are the key properties of 4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]-2-methylmorpholine?
4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]-2-methylmorpholine has a molecular weight of 389.43 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]-2-methylmorpholine is sourced from PubChem (CID 86267349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).