3-(3-methoxyphenyl)-2-pyridin-4-ylsulfanylimidazo[4,5-b]pyridine

C18H14N4OS — CID 139932387

IUPAC3-(3-methoxyphenyl)-2-pyridin-4-ylsulfanylimidazo[4,5-b]pyridine
SMILESCOc1cccc(-n2c(Sc3ccncc3)nc3cccnc32)c1
InChIInChI=1S/C18H14N4OS/c1-23-14-5-2-4-13(12-14)22-17-16(6-3-9-20-17)21-18(22)24-15-7-10-19-11-8-15/h2-12H,1H3
InChIKeyNTXTXIIOMZKSPO-UHFFFAOYSA-N
MW334.40 g/mol
LogP3.98
Rot. Bonds4

About 3-(3-methoxyphenyl)-2-pyridin-4-ylsulfanylimidazo[4,5-b]pyridine

3-(3-methoxyphenyl)-2-pyridin-4-ylsulfanylimidazo[4,5-b]pyridine (PubChem CID 139932387) has the molecular formula C18H14N4OS and a molecular weight of 334.40 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-2-pyridin-4-ylsulfanylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-2-pyridin-4-ylsulfanylimidazo[4,5-b]pyridine
PubChem CID139932387
Molecular FormulaC18H14N4OS
Molecular Weight334.40 g/mol
Exact Mass334.09
IUPAC Name3-(3-methoxyphenyl)-2-pyridin-4-ylsulfanylimidazo[4,5-b]pyridine
SMILESCOc1cccc(-n2c(Sc3ccncc3)nc3cccnc32)c1
InChIInChI=1S/C18H14N4OS/c1-23-14-5-2-4-13(12-14)22-17-16(6-3-9-20-17)21-18(22)24-15-7-10-19-11-8-15/h2-12H,1H3
InChIKeyNTXTXIIOMZKSPO-UHFFFAOYSA-N
XLogP3.98
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-phenyl-2-pyridin-4-ylsulfanylimidazo[4,5-b]pyridine
CID 139932445
3-(3-methoxyphenyl)-2-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117161371
3-(4-methoxyphenyl)-2-propan-2-ylimidazo[4,5-b]pyridine
CID 117166531
3-[(3-methoxyphenyl)methyl]-2-methylimidazo[4,5-b]pyridine
CID 117166254
3-tert-butyl-2-[(3-methoxyphenyl)methyl]imidazo[4,5-b]pyridine
CID 117165077
2-ethylsulfanyl-3-(3-methoxyphenyl)quinazolin-4-one
CID 714917
3-[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 58345186
3-cyclobutyl-2-[(3-methoxyphenyl)methyl]imidazo[4,5-b]pyridine
CID 117165132
N-(3-methoxyphenyl)-2-[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]butanamide
CID 6624879
3-[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]propan-1-ol
CID 117159759
1-(3-methoxyphenyl)-7-methylbenzimidazol-2-amine
CID 115552236
2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[4,5-b]pyridin-2-yl]-5-methoxyphenol
CID 178174154

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-2-pyridin-4-ylsulfanylimidazo[4,5-b]pyridine?
The IUPAC name of 3-(3-methoxyphenyl)-2-pyridin-4-ylsulfanylimidazo[4,5-b]pyridine (CID 139932387) is 3-(3-methoxyphenyl)-2-pyridin-4-ylsulfanylimidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(3-methoxyphenyl)-2-pyridin-4-ylsulfanylimidazo[4,5-b]pyridine?
The canonical SMILES for 3-(3-methoxyphenyl)-2-pyridin-4-ylsulfanylimidazo[4,5-b]pyridine is COc1cccc(-n2c(Sc3ccncc3)nc3cccnc32)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-2-pyridin-4-ylsulfanylimidazo[4,5-b]pyridine?
The InChIKey is NTXTXIIOMZKSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4OS/c1-23-14-5-2-4-13(12-14)22-17-16(6-3-9-20-17)21-18(22)24-15-7-10-19-11-8-15/h2-12H,1H3.
What are the key properties of 3-(3-methoxyphenyl)-2-pyridin-4-ylsulfanylimidazo[4,5-b]pyridine?
3-(3-methoxyphenyl)-2-pyridin-4-ylsulfanylimidazo[4,5-b]pyridine has a molecular weight of 334.40 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-2-pyridin-4-ylsulfanylimidazo[4,5-b]pyridine is sourced from PubChem (CID 139932387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).