1-ethoxy-2-methyl-2-(3-naphthalen-1-ylimidazo[4,5-b]pyridin-2-yl)sulfanylpropan-1-ol

C22H23N3O2S — CID 166805788

IUPAC1-ethoxy-2-methyl-2-(3-naphthalen-1-ylimidazo[4,5-b]pyridin-2-yl)sulfanylpropan-1-ol
SMILESCCOC(O)C(C)(C)Sc1nc2cccnc2n1-c1cccc2ccccc12
InChIInChI=1S/C22H23N3O2S/c1-4-27-20(26)22(2,3)28-21-24-17-12-8-14-23-19(17)25(21)18-13-7-10-15-9-5-6-11-16(15)18/h5-14,20,26H,4H2,1-3H3
InChIKeyOALFMHYSLPMDSL-UHFFFAOYSA-N
MW393.51 g/mol
LogP4.80
Rot. Bonds6

About 1-ethoxy-2-methyl-2-(3-naphthalen-1-ylimidazo[4,5-b]pyridin-2-yl)sulfanylpropan-1-ol

1-ethoxy-2-methyl-2-(3-naphthalen-1-ylimidazo[4,5-b]pyridin-2-yl)sulfanylpropan-1-ol (PubChem CID 166805788) has the molecular formula C22H23N3O2S and a molecular weight of 393.51 g/mol. Its IUPAC name is 1-ethoxy-2-methyl-2-(3-naphthalen-1-ylimidazo[4,5-b]pyridin-2-yl)sulfanylpropan-1-ol.

Molecular Properties

Compound Name1-ethoxy-2-methyl-2-(3-naphthalen-1-ylimidazo[4,5-b]pyridin-2-yl)sulfanylpropan-1-ol
PubChem CID166805788
Molecular FormulaC22H23N3O2S
Molecular Weight393.51 g/mol
Exact Mass393.15
IUPAC Name1-ethoxy-2-methyl-2-(3-naphthalen-1-ylimidazo[4,5-b]pyridin-2-yl)sulfanylpropan-1-ol
SMILESCCOC(O)C(C)(C)Sc1nc2cccnc2n1-c1cccc2ccccc12
InChIInChI=1S/C22H23N3O2S/c1-4-27-20(26)22(2,3)28-21-24-17-12-8-14-23-19(17)25(21)18-13-7-10-15-9-5-6-11-16(15)18/h5-14,20,26H,4H2,1-3H3
InChIKeyOALFMHYSLPMDSL-UHFFFAOYSA-N
XLogP4.80
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(3-naphthalen-1-ylimidazo[4,5-b]pyridin-2-yl)sulfanylacetate
CID 134241898
2-[(5-bromo-4-naphthalen-1-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methylpropane-1,1-diol
CID 69167138
CID 89085996
CID 89085996
2-[3,5-bis[3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-methylphenyl)imidazo[4,5-b]pyridine;2-[3,5-bis(3-naphthalen-1-ylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-naphthalen-1-ylimidazo[4,5-b]pyridine;2-[3,5-bis[3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-phenylphenyl)imidazo[4,5-b]pyridine
CID 159563284
N-tert-butyl-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide
CID 3214185
2-(2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)phenol
CID 117166519
3-isoquinolin-5-ylimidazo[4,5-b]pyridin-2-amine
CID 79275014
N-(2-chloro-3-pyridinyl)-2-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2567370
CID 67212686
CID 67212686
2-(chloromethyl)-3-(2-methylphenyl)imidazo[4,5-b]pyridine
CID 79295003
methyl 2-[[2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetyl]amino]benzoate
CID 3214198
2-tert-butyl-3-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine
CID 117166513

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2-methyl-2-(3-naphthalen-1-ylimidazo[4,5-b]pyridin-2-yl)sulfanylpropan-1-ol?
The IUPAC name of 1-ethoxy-2-methyl-2-(3-naphthalen-1-ylimidazo[4,5-b]pyridin-2-yl)sulfanylpropan-1-ol (CID 166805788) is 1-ethoxy-2-methyl-2-(3-naphthalen-1-ylimidazo[4,5-b]pyridin-2-yl)sulfanylpropan-1-ol.
What is the SMILES notation for 1-ethoxy-2-methyl-2-(3-naphthalen-1-ylimidazo[4,5-b]pyridin-2-yl)sulfanylpropan-1-ol?
The canonical SMILES for 1-ethoxy-2-methyl-2-(3-naphthalen-1-ylimidazo[4,5-b]pyridin-2-yl)sulfanylpropan-1-ol is CCOC(O)C(C)(C)Sc1nc2cccnc2n1-c1cccc2ccccc12.
What is the InChIKey of 1-ethoxy-2-methyl-2-(3-naphthalen-1-ylimidazo[4,5-b]pyridin-2-yl)sulfanylpropan-1-ol?
The InChIKey is OALFMHYSLPMDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2S/c1-4-27-20(26)22(2,3)28-21-24-17-12-8-14-23-19(17)25(21)18-13-7-10-15-9-5-6-11-16(15)18/h5-14,20,26H,4H2,1-3H3.
What are the key properties of 1-ethoxy-2-methyl-2-(3-naphthalen-1-ylimidazo[4,5-b]pyridin-2-yl)sulfanylpropan-1-ol?
1-ethoxy-2-methyl-2-(3-naphthalen-1-ylimidazo[4,5-b]pyridin-2-yl)sulfanylpropan-1-ol has a molecular weight of 393.51 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-methyl-2-(3-naphthalen-1-ylimidazo[4,5-b]pyridin-2-yl)sulfanylpropan-1-ol is sourced from PubChem (CID 166805788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).