3-phenyl-2-pyridin-4-ylsulfanylimidazo[4,5-b]pyridine

C17H12N4S — CID 139932445

IUPAC3-phenyl-2-pyridin-4-ylsulfanylimidazo[4,5-b]pyridine
SMILESc1ccc(-n2c(Sc3ccncc3)nc3cccnc32)cc1
InChIInChI=1S/C17H12N4S/c1-2-5-13(6-3-1)21-16-15(7-4-10-19-16)20-17(21)22-14-8-11-18-12-9-14/h1-12H
InChIKeyYWIPDHRDDKOEPO-UHFFFAOYSA-N
MW304.38 g/mol
LogP3.97
Rot. Bonds3

About 3-phenyl-2-pyridin-4-ylsulfanylimidazo[4,5-b]pyridine

3-phenyl-2-pyridin-4-ylsulfanylimidazo[4,5-b]pyridine (PubChem CID 139932445) has the molecular formula C17H12N4S and a molecular weight of 304.38 g/mol. Its IUPAC name is 3-phenyl-2-pyridin-4-ylsulfanylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-phenyl-2-pyridin-4-ylsulfanylimidazo[4,5-b]pyridine
PubChem CID139932445
Molecular FormulaC17H12N4S
Molecular Weight304.38 g/mol
Exact Mass304.08
IUPAC Name3-phenyl-2-pyridin-4-ylsulfanylimidazo[4,5-b]pyridine
SMILESc1ccc(-n2c(Sc3ccncc3)nc3cccnc32)cc1
InChIInChI=1S/C17H12N4S/c1-2-5-13(6-3-1)21-16-15(7-4-10-19-16)20-17(21)22-14-8-11-18-12-9-14/h1-12H
InChIKeyYWIPDHRDDKOEPO-UHFFFAOYSA-N
XLogP3.97
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-methoxyphenyl)-2-pyridin-4-ylsulfanylimidazo[4,5-b]pyridine
CID 139932387
3-phenyl-2-[2,4,5-tris(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridine
CID 20606867
2-(2-fluorophenyl)-3-pyridin-4-ylimidazo[4,5-b]pyridine
CID 83430661
2-(1-chloroethyl)-3-phenylimidazo[4,5-b]pyridine
CID 79290021
2-[3-(4-bromophenyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid
CID 79275334
3-phenyl-2-[2-phenyl-6-(3-phenylimidazo[4,5-b]pyridin-2-yl)pyrimidin-4-yl]imidazo[4,5-b]pyridine
CID 59336473
2-[3-fluoro-5-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine
CID 23391315
2-naphthalen-2-yl-3-phenylimidazo[4,5-b]pyridine
CID 23527790
2-(2-methylpropyl)-3-pyridin-4-ylimidazo[4,5-b]pyridine
CID 117166087
3-phenyl-2-[4-[10-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]anthracen-9-yl]phenyl]imidazo[4,5-b]pyridine
CID 23391355
2-[3-bromo-5-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine
CID 23391310
2-[(2-methylphenyl)methyl]-3-pyridin-4-ylimidazo[4,5-b]pyridine
CID 117165359

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-pyridin-4-ylsulfanylimidazo[4,5-b]pyridine?
The IUPAC name of 3-phenyl-2-pyridin-4-ylsulfanylimidazo[4,5-b]pyridine (CID 139932445) is 3-phenyl-2-pyridin-4-ylsulfanylimidazo[4,5-b]pyridine.
What is the SMILES notation for 3-phenyl-2-pyridin-4-ylsulfanylimidazo[4,5-b]pyridine?
The canonical SMILES for 3-phenyl-2-pyridin-4-ylsulfanylimidazo[4,5-b]pyridine is c1ccc(-n2c(Sc3ccncc3)nc3cccnc32)cc1.
What is the InChIKey of 3-phenyl-2-pyridin-4-ylsulfanylimidazo[4,5-b]pyridine?
The InChIKey is YWIPDHRDDKOEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4S/c1-2-5-13(6-3-1)21-16-15(7-4-10-19-16)20-17(21)22-14-8-11-18-12-9-14/h1-12H.
What are the key properties of 3-phenyl-2-pyridin-4-ylsulfanylimidazo[4,5-b]pyridine?
3-phenyl-2-pyridin-4-ylsulfanylimidazo[4,5-b]pyridine has a molecular weight of 304.38 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-pyridin-4-ylsulfanylimidazo[4,5-b]pyridine is sourced from PubChem (CID 139932445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).