[(1R,2R)-5-fluoro-1-[3-(hydroxymethyl)-2-methylimidazo[1,2-a]pyridin-8-yl]oxy-2,3-dihydro-1H-inden-2-yl] (2S)-2-methoxypropanoate

C22H23FN2O5 — CID 70355359

IUPAC[(1R,2R)-5-fluoro-1-[3-(hydroxymethyl)-2-methylimidazo[1,2-a]pyridin-8-yl]oxy-2,3-dihydro-1H-inden-2-yl] (2S)-2-methoxypropanoate
SMILESCO[C@@H](C)C(=O)O[C@@H]1Cc2cc(F)ccc2[C@H]1Oc1cccn2c(CO)c(C)nc12
InChIInChI=1S/C22H23FN2O5/c1-12-17(11-26)25-8-4-5-18(21(25)24-12)29-20-16-7-6-15(23)9-14(16)10-19(20)30-22(27)13(2)28-3/h4-9,13,19-20,26H,10-11H2,1-3H3/t13-,19+,20+/m0/s1
InChIKeyCYZUJXYWXSWHHB-CJMONDIMSA-N
MW414.43 g/mol
LogP2.90
Rot. Bonds6

About [(1R,2R)-5-fluoro-1-[3-(hydroxymethyl)-2-methylimidazo[1,2-a]pyridin-8-yl]oxy-2,3-dihydro-1H-inden-2-yl] (2S)-2-methoxypropanoate

[(1R,2R)-5-fluoro-1-[3-(hydroxymethyl)-2-methylimidazo[1,2-a]pyridin-8-yl]oxy-2,3-dihydro-1H-inden-2-yl] (2S)-2-methoxypropanoate (PubChem CID 70355359) has the molecular formula C22H23FN2O5 and a molecular weight of 414.43 g/mol. Its IUPAC name is [(1R,2R)-5-fluoro-1-[3-(hydroxymethyl)-2-methylimidazo[1,2-a]pyridin-8-yl]oxy-2,3-dihydro-1H-inden-2-yl] (2S)-2-methoxypropanoate.

Molecular Properties

Compound Name[(1R,2R)-5-fluoro-1-[3-(hydroxymethyl)-2-methylimidazo[1,2-a]pyridin-8-yl]oxy-2,3-dihydro-1H-inden-2-yl] (2S)-2-methoxypropanoate
PubChem CID70355359
Molecular FormulaC22H23FN2O5
Molecular Weight414.43 g/mol
Exact Mass414.16
IUPAC Name[(1R,2R)-5-fluoro-1-[3-(hydroxymethyl)-2-methylimidazo[1,2-a]pyridin-8-yl]oxy-2,3-dihydro-1H-inden-2-yl] (2S)-2-methoxypropanoate
SMILESCO[C@@H](C)C(=O)O[C@@H]1Cc2cc(F)ccc2[C@H]1Oc1cccn2c(CO)c(C)nc12
InChIInChI=1S/C22H23FN2O5/c1-12-17(11-26)25-8-4-5-18(21(25)24-12)29-20-16-7-6-15(23)9-14(16)10-19(20)30-22(27)13(2)28-3/h4-9,13,19-20,26H,10-11H2,1-3H3/t13-,19+,20+/m0/s1
InChIKeyCYZUJXYWXSWHHB-CJMONDIMSA-N
XLogP2.90
TPSA82.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.43
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [(1R,2R)-5-fluoro-1-[3-(hydroxymethyl)-2-methylimidazo[1,2-a]pyridin-8-yl]oxy-2,3-dihydro-1H-inden-2-yl] (2S)-2-methoxypropanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-5-fluoro-1-[3-(hydroxymethyl)-2-methylimidazo[1,2-a]pyridin-8-yl]oxy-2,3-dihydro-1H-inden-2-yl] (2S)-2-methoxypropanoate?
The IUPAC name of [(1R,2R)-5-fluoro-1-[3-(hydroxymethyl)-2-methylimidazo[1,2-a]pyridin-8-yl]oxy-2,3-dihydro-1H-inden-2-yl] (2S)-2-methoxypropanoate (CID 70355359) is [(1R,2R)-5-fluoro-1-[3-(hydroxymethyl)-2-methylimidazo[1,2-a]pyridin-8-yl]oxy-2,3-dihydro-1H-inden-2-yl] (2S)-2-methoxypropanoate.
What is the SMILES notation for [(1R,2R)-5-fluoro-1-[3-(hydroxymethyl)-2-methylimidazo[1,2-a]pyridin-8-yl]oxy-2,3-dihydro-1H-inden-2-yl] (2S)-2-methoxypropanoate?
The canonical SMILES for [(1R,2R)-5-fluoro-1-[3-(hydroxymethyl)-2-methylimidazo[1,2-a]pyridin-8-yl]oxy-2,3-dihydro-1H-inden-2-yl] (2S)-2-methoxypropanoate is CO[C@@H](C)C(=O)O[C@@H]1Cc2cc(F)ccc2[C@H]1Oc1cccn2c(CO)c(C)nc12.
What is the InChIKey of [(1R,2R)-5-fluoro-1-[3-(hydroxymethyl)-2-methylimidazo[1,2-a]pyridin-8-yl]oxy-2,3-dihydro-1H-inden-2-yl] (2S)-2-methoxypropanoate?
The InChIKey is CYZUJXYWXSWHHB-CJMONDIMSA-N. The full InChI is InChI=1S/C22H23FN2O5/c1-12-17(11-26)25-8-4-5-18(21(25)24-12)29-20-16-7-6-15(23)9-14(16)10-19(20)30-22(27)13(2)28-3/h4-9,13,19-20,26H,10-11H2,1-3H3/t13-,19+,20+/m0/s1.
What are the key properties of [(1R,2R)-5-fluoro-1-[3-(hydroxymethyl)-2-methylimidazo[1,2-a]pyridin-8-yl]oxy-2,3-dihydro-1H-inden-2-yl] (2S)-2-methoxypropanoate?
[(1R,2R)-5-fluoro-1-[3-(hydroxymethyl)-2-methylimidazo[1,2-a]pyridin-8-yl]oxy-2,3-dihydro-1H-inden-2-yl] (2S)-2-methoxypropanoate has a molecular weight of 414.43 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-5-fluoro-1-[3-(hydroxymethyl)-2-methylimidazo[1,2-a]pyridin-8-yl]oxy-2,3-dihydro-1H-inden-2-yl] (2S)-2-methoxypropanoate is sourced from PubChem (CID 70355359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).