N-[6-(4-fluoro-3-methylphenyl)-5-imidazo[1,2-a]pyridin-6-yl-3-pyridinyl]-2-morpholin-4-ylacetamide

C25H24FN5O2 — CID 123332581

IUPACN-[6-(4-fluoro-3-methylphenyl)-5-imidazo[1,2-a]pyridin-6-yl-3-pyridinyl]-2-morpholin-4-ylacetamide
SMILESCc1cc(-c2ncc(NC(=O)CN3CCOCC3)cc2-c2ccc3nccn3c2)ccc1F
InChIInChI=1S/C25H24FN5O2/c1-17-12-18(2-4-22(17)26)25-21(19-3-5-23-27-6-7-31(23)15-19)13-20(14-28-25)29-24(32)16-30-8-10-33-11-9-30/h2-7,12-15H,8-11,16H2,1H3,(H,29,32)
InChIKeyVXTMGLRNJRWOBZ-UHFFFAOYSA-N
MW445.50 g/mol
LogP3.78
Rot. Bonds5

About N-[6-(4-fluoro-3-methylphenyl)-5-imidazo[1,2-a]pyridin-6-yl-3-pyridinyl]-2-morpholin-4-ylacetamide

N-[6-(4-fluoro-3-methylphenyl)-5-imidazo[1,2-a]pyridin-6-yl-3-pyridinyl]-2-morpholin-4-ylacetamide (PubChem CID 123332581) has the molecular formula C25H24FN5O2 and a molecular weight of 445.50 g/mol. Its IUPAC name is N-[6-(4-fluoro-3-methylphenyl)-5-imidazo[1,2-a]pyridin-6-yl-3-pyridinyl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[6-(4-fluoro-3-methylphenyl)-5-imidazo[1,2-a]pyridin-6-yl-3-pyridinyl]-2-morpholin-4-ylacetamide
PubChem CID123332581
Molecular FormulaC25H24FN5O2
Molecular Weight445.50 g/mol
Exact Mass445.19
IUPAC NameN-[6-(4-fluoro-3-methylphenyl)-5-imidazo[1,2-a]pyridin-6-yl-3-pyridinyl]-2-morpholin-4-ylacetamide
SMILESCc1cc(-c2ncc(NC(=O)CN3CCOCC3)cc2-c2ccc3nccn3c2)ccc1F
InChIInChI=1S/C25H24FN5O2/c1-17-12-18(2-4-22(17)26)25-21(19-3-5-23-27-6-7-31(23)15-19)13-20(14-28-25)29-24(32)16-30-8-10-33-11-9-30/h2-7,12-15H,8-11,16H2,1H3,(H,29,32)
InChIKeyVXTMGLRNJRWOBZ-UHFFFAOYSA-N
XLogP3.78
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-fluoro-3-methylphenyl)-5-imidazo[1,2-a]pyridin-6-yl-3-pyridinyl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[6-(4-fluoro-3-methylphenyl)-5-imidazo[1,2-a]pyridin-6-yl-3-pyridinyl]-2-morpholin-4-ylacetamide (CID 123332581) is N-[6-(4-fluoro-3-methylphenyl)-5-imidazo[1,2-a]pyridin-6-yl-3-pyridinyl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[6-(4-fluoro-3-methylphenyl)-5-imidazo[1,2-a]pyridin-6-yl-3-pyridinyl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[6-(4-fluoro-3-methylphenyl)-5-imidazo[1,2-a]pyridin-6-yl-3-pyridinyl]-2-morpholin-4-ylacetamide is Cc1cc(-c2ncc(NC(=O)CN3CCOCC3)cc2-c2ccc3nccn3c2)ccc1F.
What is the InChIKey of N-[6-(4-fluoro-3-methylphenyl)-5-imidazo[1,2-a]pyridin-6-yl-3-pyridinyl]-2-morpholin-4-ylacetamide?
The InChIKey is VXTMGLRNJRWOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O2/c1-17-12-18(2-4-22(17)26)25-21(19-3-5-23-27-6-7-31(23)15-19)13-20(14-28-25)29-24(32)16-30-8-10-33-11-9-30/h2-7,12-15H,8-11,16H2,1H3,(H,29,32).
What are the key properties of N-[6-(4-fluoro-3-methylphenyl)-5-imidazo[1,2-a]pyridin-6-yl-3-pyridinyl]-2-morpholin-4-ylacetamide?
N-[6-(4-fluoro-3-methylphenyl)-5-imidazo[1,2-a]pyridin-6-yl-3-pyridinyl]-2-morpholin-4-ylacetamide has a molecular weight of 445.50 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-fluoro-3-methylphenyl)-5-imidazo[1,2-a]pyridin-6-yl-3-pyridinyl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 123332581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).