3-(4-propan-2-ylsulfanylphenyl)-6-pyridin-3-ylimidazo[1,2-a]pyridine

C21H19N3S — CID 74223672

IUPAC3-(4-propan-2-ylsulfanylphenyl)-6-pyridin-3-ylimidazo[1,2-a]pyridine
SMILESCC(C)Sc1ccc(-c2cnc3ccc(-c4cccnc4)cn23)cc1
InChIInChI=1S/C21H19N3S/c1-15(2)25-19-8-5-16(6-9-19)20-13-23-21-10-7-18(14-24(20)21)17-4-3-11-22-12-17/h3-15H,1-2H3
InChIKeyMSVRSURGKOFTGV-UHFFFAOYSA-N
MW345.47 g/mol
LogP5.56
Rot. Bonds4

About 3-(4-propan-2-ylsulfanylphenyl)-6-pyridin-3-ylimidazo[1,2-a]pyridine

3-(4-propan-2-ylsulfanylphenyl)-6-pyridin-3-ylimidazo[1,2-a]pyridine (PubChem CID 74223672) has the molecular formula C21H19N3S and a molecular weight of 345.47 g/mol. Its IUPAC name is 3-(4-propan-2-ylsulfanylphenyl)-6-pyridin-3-ylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-(4-propan-2-ylsulfanylphenyl)-6-pyridin-3-ylimidazo[1,2-a]pyridine
PubChem CID74223672
Molecular FormulaC21H19N3S
Molecular Weight345.47 g/mol
Exact Mass345.13
IUPAC Name3-(4-propan-2-ylsulfanylphenyl)-6-pyridin-3-ylimidazo[1,2-a]pyridine
SMILESCC(C)Sc1ccc(-c2cnc3ccc(-c4cccnc4)cn23)cc1
InChIInChI=1S/C21H19N3S/c1-15(2)25-19-8-5-16(6-9-19)20-13-23-21-10-7-18(14-24(20)21)17-4-3-11-22-12-17/h3-15H,1-2H3
InChIKeyMSVRSURGKOFTGV-UHFFFAOYSA-N
XLogP5.56
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.47
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-propan-2-ylsulfanylphenyl)-6-pyridin-3-ylimidazo[1,2-a]pyridine?
The IUPAC name of 3-(4-propan-2-ylsulfanylphenyl)-6-pyridin-3-ylimidazo[1,2-a]pyridine (CID 74223672) is 3-(4-propan-2-ylsulfanylphenyl)-6-pyridin-3-ylimidazo[1,2-a]pyridine.
What is the SMILES notation for 3-(4-propan-2-ylsulfanylphenyl)-6-pyridin-3-ylimidazo[1,2-a]pyridine?
The canonical SMILES for 3-(4-propan-2-ylsulfanylphenyl)-6-pyridin-3-ylimidazo[1,2-a]pyridine is CC(C)Sc1ccc(-c2cnc3ccc(-c4cccnc4)cn23)cc1.
What is the InChIKey of 3-(4-propan-2-ylsulfanylphenyl)-6-pyridin-3-ylimidazo[1,2-a]pyridine?
The InChIKey is MSVRSURGKOFTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3S/c1-15(2)25-19-8-5-16(6-9-19)20-13-23-21-10-7-18(14-24(20)21)17-4-3-11-22-12-17/h3-15H,1-2H3.
What are the key properties of 3-(4-propan-2-ylsulfanylphenyl)-6-pyridin-3-ylimidazo[1,2-a]pyridine?
3-(4-propan-2-ylsulfanylphenyl)-6-pyridin-3-ylimidazo[1,2-a]pyridine has a molecular weight of 345.47 g/mol, XLogP of 5.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propan-2-ylsulfanylphenyl)-6-pyridin-3-ylimidazo[1,2-a]pyridine is sourced from PubChem (CID 74223672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).