ethyl 2-[6-(4-fluoro-2-methylphenyl)-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]acetate

C27H24FN5O2 — CID 167584266

IUPACethyl 2-[6-(4-fluoro-2-methylphenyl)-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]acetate
SMILESCCOC(=O)Cc1cc(-c2cnc3cc(-c4cnn(C)c4)ccn23)cc(-c2ccc(F)cc2C)n1
InChIInChI=1S/C27H24FN5O2/c1-4-35-27(34)13-22-10-19(11-24(31-22)23-6-5-21(28)9-17(23)2)25-15-29-26-12-18(7-8-33(25)26)20-14-30-32(3)16-20/h5-12,14-16H,4,13H2,1-3H3
InChIKeyHOSLGTLYFRADJZ-UHFFFAOYSA-N
MW469.52 g/mol
LogP5.02
Rot. Bonds6

About ethyl 2-[6-(4-fluoro-2-methylphenyl)-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]acetate

ethyl 2-[6-(4-fluoro-2-methylphenyl)-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]acetate (PubChem CID 167584266) has the molecular formula C27H24FN5O2 and a molecular weight of 469.52 g/mol. Its IUPAC name is ethyl 2-[6-(4-fluoro-2-methylphenyl)-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]acetate.

Molecular Properties

Compound Nameethyl 2-[6-(4-fluoro-2-methylphenyl)-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]acetate
PubChem CID167584266
Molecular FormulaC27H24FN5O2
Molecular Weight469.52 g/mol
Exact Mass469.19
IUPAC Nameethyl 2-[6-(4-fluoro-2-methylphenyl)-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]acetate
SMILESCCOC(=O)Cc1cc(-c2cnc3cc(-c4cnn(C)c4)ccn23)cc(-c2ccc(F)cc2C)n1
InChIInChI=1S/C27H24FN5O2/c1-4-35-27(34)13-22-10-19(11-24(31-22)23-6-5-21(28)9-17(23)2)25-15-29-26-12-18(7-8-33(25)26)20-14-30-32(3)16-20/h5-12,14-16H,4,13H2,1-3H3
InChIKeyHOSLGTLYFRADJZ-UHFFFAOYSA-N
XLogP5.02
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.52
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[6-(4-fluoro-2-methylphenyl)-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]acetate?
The IUPAC name of ethyl 2-[6-(4-fluoro-2-methylphenyl)-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]acetate (CID 167584266) is ethyl 2-[6-(4-fluoro-2-methylphenyl)-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]acetate.
What is the SMILES notation for ethyl 2-[6-(4-fluoro-2-methylphenyl)-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]acetate?
The canonical SMILES for ethyl 2-[6-(4-fluoro-2-methylphenyl)-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]acetate is CCOC(=O)Cc1cc(-c2cnc3cc(-c4cnn(C)c4)ccn23)cc(-c2ccc(F)cc2C)n1.
What is the InChIKey of ethyl 2-[6-(4-fluoro-2-methylphenyl)-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]acetate?
The InChIKey is HOSLGTLYFRADJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN5O2/c1-4-35-27(34)13-22-10-19(11-24(31-22)23-6-5-21(28)9-17(23)2)25-15-29-26-12-18(7-8-33(25)26)20-14-30-32(3)16-20/h5-12,14-16H,4,13H2,1-3H3.
What are the key properties of ethyl 2-[6-(4-fluoro-2-methylphenyl)-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]acetate?
ethyl 2-[6-(4-fluoro-2-methylphenyl)-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]acetate has a molecular weight of 469.52 g/mol, XLogP of 5.02, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[6-(4-fluoro-2-methylphenyl)-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]acetate is sourced from PubChem (CID 167584266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).