4-[5-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-2-pyridinyl]morpholine

C26H22FN5O — CID 122179435

IUPAC4-[5-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-2-pyridinyl]morpholine
SMILESFc1cc(-c2ccc(N3CCOCC3)nc2)cn2c(Cc3ccc4ncccc4c3)cnc12
InChIInChI=1S/C26H22FN5O/c27-23-14-21(20-4-6-25(29-15-20)31-8-10-33-11-9-31)17-32-22(16-30-26(23)32)13-18-3-5-24-19(12-18)2-1-7-28-24/h1-7,12,14-17H,8-11,13H2
InChIKeyOLMUTDTXCLHHHG-UHFFFAOYSA-N
MW439.49 g/mol
LogP4.51
Rot. Bonds4

About 4-[5-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-2-pyridinyl]morpholine

4-[5-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-2-pyridinyl]morpholine (PubChem CID 122179435) has the molecular formula C26H22FN5O and a molecular weight of 439.49 g/mol. Its IUPAC name is 4-[5-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[5-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-2-pyridinyl]morpholine
PubChem CID122179435
Molecular FormulaC26H22FN5O
Molecular Weight439.49 g/mol
Exact Mass439.18
IUPAC Name4-[5-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-2-pyridinyl]morpholine
SMILESFc1cc(-c2ccc(N3CCOCC3)nc2)cn2c(Cc3ccc4ncccc4c3)cnc12
InChIInChI=1S/C26H22FN5O/c27-23-14-21(20-4-6-25(29-15-20)31-8-10-33-11-9-31)17-32-22(16-30-26(23)32)13-18-3-5-24-19(12-18)2-1-7-28-24/h1-7,12,14-17H,8-11,13H2
InChIKeyOLMUTDTXCLHHHG-UHFFFAOYSA-N
XLogP4.51
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.49
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-2-pyridinyl]morpholine?
The IUPAC name of 4-[5-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-2-pyridinyl]morpholine (CID 122179435) is 4-[5-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[5-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-2-pyridinyl]morpholine?
The canonical SMILES for 4-[5-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-2-pyridinyl]morpholine is Fc1cc(-c2ccc(N3CCOCC3)nc2)cn2c(Cc3ccc4ncccc4c3)cnc12.
What is the InChIKey of 4-[5-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-2-pyridinyl]morpholine?
The InChIKey is OLMUTDTXCLHHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN5O/c27-23-14-21(20-4-6-25(29-15-20)31-8-10-33-11-9-31)17-32-22(16-30-26(23)32)13-18-3-5-24-19(12-18)2-1-7-28-24/h1-7,12,14-17H,8-11,13H2.
What are the key properties of 4-[5-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-2-pyridinyl]morpholine?
4-[5-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-2-pyridinyl]morpholine has a molecular weight of 439.49 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-2-pyridinyl]morpholine is sourced from PubChem (CID 122179435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).