4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-4,6-dimethyl-2-pyridinyl]morpholine

C23H22FN5O — CID 86269401

IUPAC4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-4,6-dimethyl-2-pyridinyl]morpholine
SMILESCc1cc(N2CCOCC2)nc(C)c1-c1nc2ccncc2n1-c1ccc(F)cc1
InChIInChI=1S/C23H22FN5O/c1-15-13-21(28-9-11-30-12-10-28)26-16(2)22(15)23-27-19-7-8-25-14-20(19)29(23)18-5-3-17(24)4-6-18/h3-8,13-14H,9-12H2,1-2H3
InChIKeyYCDZUPIXZOHNMV-UHFFFAOYSA-N
MW403.46 g/mol
LogP4.08
Rot. Bonds3

About 4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-4,6-dimethyl-2-pyridinyl]morpholine

4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-4,6-dimethyl-2-pyridinyl]morpholine (PubChem CID 86269401) has the molecular formula C23H22FN5O and a molecular weight of 403.46 g/mol. Its IUPAC name is 4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-4,6-dimethyl-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-4,6-dimethyl-2-pyridinyl]morpholine
PubChem CID86269401
Molecular FormulaC23H22FN5O
Molecular Weight403.46 g/mol
Exact Mass403.18
IUPAC Name4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-4,6-dimethyl-2-pyridinyl]morpholine
SMILESCc1cc(N2CCOCC2)nc(C)c1-c1nc2ccncc2n1-c1ccc(F)cc1
InChIInChI=1S/C23H22FN5O/c1-15-13-21(28-9-11-30-12-10-28)26-16(2)22(15)23-27-19-7-8-25-14-20(19)29(23)18-5-3-17(24)4-6-18/h3-8,13-14H,9-12H2,1-2H3
InChIKeyYCDZUPIXZOHNMV-UHFFFAOYSA-N
XLogP4.08
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 54.08
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]-4,6-dimethyl-2-pyridinyl]morpholine?
The IUPAC name of 4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-4,6-dimethyl-2-pyridinyl]morpholine (CID 86269401) is 4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-4,6-dimethyl-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-4,6-dimethyl-2-pyridinyl]morpholine?
The canonical SMILES for 4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-4,6-dimethyl-2-pyridinyl]morpholine is Cc1cc(N2CCOCC2)nc(C)c1-c1nc2ccncc2n1-c1ccc(F)cc1.
What is the InChIKey of 4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-4,6-dimethyl-2-pyridinyl]morpholine?
The InChIKey is YCDZUPIXZOHNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O/c1-15-13-21(28-9-11-30-12-10-28)26-16(2)22(15)23-27-19-7-8-25-14-20(19)29(23)18-5-3-17(24)4-6-18/h3-8,13-14H,9-12H2,1-2H3.
What are the key properties of 4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-4,6-dimethyl-2-pyridinyl]morpholine?
4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-4,6-dimethyl-2-pyridinyl]morpholine has a molecular weight of 403.46 g/mol, XLogP of 4.08, 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]-4,6-dimethyl-2-pyridinyl]morpholine is sourced from PubChem (CID 86269401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).