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

C22H20FN5O2 — CID 86269400

IUPAC4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-6-methoxy-2-pyridinyl]morpholine
SMILESCOc1nc(N2CCOCC2)ccc1-c1nc2ccncc2n1-c1ccc(F)cc1
InChIInChI=1S/C22H20FN5O2/c1-29-22-17(6-7-20(26-22)27-10-12-30-13-11-27)21-25-18-8-9-24-14-19(18)28(21)16-4-2-15(23)3-5-16/h2-9,14H,10-13H2,1H3
InChIKeySFBASPGYEWINLU-UHFFFAOYSA-N
MW405.43 g/mol
LogP3.47
Rot. Bonds4

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

4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-6-methoxy-2-pyridinyl]morpholine (PubChem CID 86269400) has the molecular formula C22H20FN5O2 and a molecular weight of 405.43 g/mol. Its IUPAC name is 4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-6-methoxy-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-6-methoxy-2-pyridinyl]morpholine
PubChem CID86269400
Molecular FormulaC22H20FN5O2
Molecular Weight405.43 g/mol
Exact Mass405.16
IUPAC Name4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-6-methoxy-2-pyridinyl]morpholine
SMILESCOc1nc(N2CCOCC2)ccc1-c1nc2ccncc2n1-c1ccc(F)cc1
InChIInChI=1S/C22H20FN5O2/c1-29-22-17(6-7-20(26-22)27-10-12-30-13-11-27)21-25-18-8-9-24-14-19(18)28(21)16-4-2-15(23)3-5-16/h2-9,14H,10-13H2,1H3
InChIKeySFBASPGYEWINLU-UHFFFAOYSA-N
XLogP3.47
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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]-6-methoxy-2-pyridinyl]morpholine?
The IUPAC name of 4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-6-methoxy-2-pyridinyl]morpholine (CID 86269400) is 4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-6-methoxy-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-6-methoxy-2-pyridinyl]morpholine?
The canonical SMILES for 4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-6-methoxy-2-pyridinyl]morpholine is COc1nc(N2CCOCC2)ccc1-c1nc2ccncc2n1-c1ccc(F)cc1.
What is the InChIKey of 4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-6-methoxy-2-pyridinyl]morpholine?
The InChIKey is SFBASPGYEWINLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O2/c1-29-22-17(6-7-20(26-22)27-10-12-30-13-11-27)21-25-18-8-9-24-14-19(18)28(21)16-4-2-15(23)3-5-16/h2-9,14H,10-13H2,1H3.
What are the key properties of 4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-6-methoxy-2-pyridinyl]morpholine?
4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-6-methoxy-2-pyridinyl]morpholine has a molecular weight of 405.43 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-6-methoxy-2-pyridinyl]morpholine is sourced from PubChem (CID 86269400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).