4-(3-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)benzenethiol

C18H13N3S — CID 135795187

IUPAC4-(3-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)benzenethiol
SMILESSc1ccc(-c2nc3ccccn3c2-c2ccncc2)cc1
InChIInChI=1S/C18H13N3S/c22-15-6-4-13(5-7-15)17-18(14-8-10-19-11-9-14)21-12-2-1-3-16(21)20-17/h1-12,22H
InChIKeyXKBRRBRHQPHZNV-UHFFFAOYSA-N
MW303.39 g/mol
LogP4.35
Rot. Bonds2

About 4-(3-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)benzenethiol

4-(3-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)benzenethiol (PubChem CID 135795187) has the molecular formula C18H13N3S and a molecular weight of 303.39 g/mol. Its IUPAC name is 4-(3-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)benzenethiol.

Molecular Properties

Compound Name4-(3-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)benzenethiol
PubChem CID135795187
Molecular FormulaC18H13N3S
Molecular Weight303.39 g/mol
Exact Mass303.08
IUPAC Name4-(3-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)benzenethiol
SMILESSc1ccc(-c2nc3ccccn3c2-c2ccncc2)cc1
InChIInChI=1S/C18H13N3S/c22-15-6-4-13(5-7-15)17-18(14-8-10-19-11-9-14)21-12-2-1-3-16(21)20-17/h1-12,22H
InChIKeyXKBRRBRHQPHZNV-UHFFFAOYSA-N
XLogP4.35
TPSA30.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-(4-methylsulfanylphenyl)-3-pyridin-4-ylimidazo[1,2-a]pyridine
CID 19022699
2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-phenylimidazo[1,2-a]pyridine
CID 168835931
2-(4-fluorophenyl)-3-phenylimidazo[1,2-a]pyridine
CID 10779709
2-(4-iodophenyl)-3-phenylimidazo[1,2-a]pyridine
CID 133055125
4-(2-phenylimidazo[1,2-a]pyridin-3-yl)aniline
CID 71460237
2-naphthalen-2-yl-3-[4-(2-naphthalen-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]imidazo[1,2-a]pyridine
CID 59999905
(2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)methanol
CID 39132836
4-(2-phenylimidazo[1,2-a]pyridin-3-yl)-N,N-bis[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]aniline
CID 148796411
3-(4-bromophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridine
CID 155255091
3-[4-[3,5-bis[4-(2-naphthalen-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]phenyl]phenyl]-2-naphthalen-2-ylimidazo[1,2-a]pyridine
CID 131846664
2-phenyl-3-[3-[3-phenyl-5-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]phenyl]phenyl]quinoxaline
CID 164781299
N-phenyl-N-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]-4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]aniline
CID 167376610

Frequently Asked Questions

What is the IUPAC name of 4-(3-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)benzenethiol?
The IUPAC name of 4-(3-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)benzenethiol (CID 135795187) is 4-(3-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)benzenethiol.
What is the SMILES notation for 4-(3-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)benzenethiol?
The canonical SMILES for 4-(3-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)benzenethiol is Sc1ccc(-c2nc3ccccn3c2-c2ccncc2)cc1.
What is the InChIKey of 4-(3-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)benzenethiol?
The InChIKey is XKBRRBRHQPHZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3S/c22-15-6-4-13(5-7-15)17-18(14-8-10-19-11-9-14)21-12-2-1-3-16(21)20-17/h1-12,22H.
What are the key properties of 4-(3-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)benzenethiol?
4-(3-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)benzenethiol has a molecular weight of 303.39 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)benzenethiol is sourced from PubChem (CID 135795187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).