2-[8-[[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxy]-2-methylimidazo[1,2-a]pyridin-3-yl]acetonitrile

C19H17N3O2 — CID 57177844

IUPAC2-[8-[[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxy]-2-methylimidazo[1,2-a]pyridin-3-yl]acetonitrile
SMILESCc1nc2c(O[C@H]3c4ccccc4C[C@@H]3O)cccn2c1CC#N
InChIInChI=1S/C19H17N3O2/c1-12-15(8-9-20)22-10-4-7-17(19(22)21-12)24-18-14-6-3-2-5-13(14)11-16(18)23/h2-7,10,16,18,23H,8,11H2,1H3/t16-,18-/m0/s1
InChIKeyJQQXVMDXRWYZKY-WMZOPIPTSA-N
MW319.36 g/mol
LogP2.75
Rot. Bonds3

About 2-[8-[[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxy]-2-methylimidazo[1,2-a]pyridin-3-yl]acetonitrile

2-[8-[[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxy]-2-methylimidazo[1,2-a]pyridin-3-yl]acetonitrile (PubChem CID 57177844) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 2-[8-[[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxy]-2-methylimidazo[1,2-a]pyridin-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[8-[[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxy]-2-methylimidazo[1,2-a]pyridin-3-yl]acetonitrile
PubChem CID57177844
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name2-[8-[[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxy]-2-methylimidazo[1,2-a]pyridin-3-yl]acetonitrile
SMILESCc1nc2c(O[C@H]3c4ccccc4C[C@@H]3O)cccn2c1CC#N
InChIInChI=1S/C19H17N3O2/c1-12-15(8-9-20)22-10-4-7-17(19(22)21-12)24-18-14-6-3-2-5-13(14)11-16(18)23/h2-7,10,16,18,23H,8,11H2,1H3/t16-,18-/m0/s1
InChIKeyJQQXVMDXRWYZKY-WMZOPIPTSA-N
XLogP2.75
TPSA70.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[8-[[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxy]-2-methylimidazo[1,2-a]pyridin-3-yl]acetonitrile?
The IUPAC name of 2-[8-[[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxy]-2-methylimidazo[1,2-a]pyridin-3-yl]acetonitrile (CID 57177844) is 2-[8-[[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxy]-2-methylimidazo[1,2-a]pyridin-3-yl]acetonitrile.
What is the SMILES notation for 2-[8-[[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxy]-2-methylimidazo[1,2-a]pyridin-3-yl]acetonitrile?
The canonical SMILES for 2-[8-[[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxy]-2-methylimidazo[1,2-a]pyridin-3-yl]acetonitrile is Cc1nc2c(O[C@H]3c4ccccc4C[C@@H]3O)cccn2c1CC#N.
What is the InChIKey of 2-[8-[[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxy]-2-methylimidazo[1,2-a]pyridin-3-yl]acetonitrile?
The InChIKey is JQQXVMDXRWYZKY-WMZOPIPTSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-12-15(8-9-20)22-10-4-7-17(19(22)21-12)24-18-14-6-3-2-5-13(14)11-16(18)23/h2-7,10,16,18,23H,8,11H2,1H3/t16-,18-/m0/s1.
What are the key properties of 2-[8-[[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxy]-2-methylimidazo[1,2-a]pyridin-3-yl]acetonitrile?
2-[8-[[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxy]-2-methylimidazo[1,2-a]pyridin-3-yl]acetonitrile has a molecular weight of 319.36 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-[[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxy]-2-methylimidazo[1,2-a]pyridin-3-yl]acetonitrile is sourced from PubChem (CID 57177844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).