5-(furan-2-yl)-6-(2-methylsulfanylpyrimidin-4-yl)-1H-imidazo[4,5-b]pyridine;5-(furan-2-yl)-6-pyridin-4-yl-1H-imidazo[4,5-b]pyridine

C30H21N9O2S — CID 158122003

IUPAC5-(furan-2-yl)-6-(2-methylsulfanylpyrimidin-4-yl)-1H-imidazo[4,5-b]pyridine;5-(furan-2-yl)-6-pyridin-4-yl-1H-imidazo[4,5-b]pyridine
SMILESCSc1nccc(-c2cc3[nH]cnc3nc2-c2ccco2)n1.c1coc(-c2nc3nc[nH]c3cc2-c2ccncc2)c1
InChIInChI=1S/C15H11N5OS.C15H10N4O/c1-22-15-16-5-4-10(19-15)9-7-11-14(18-8-17-11)20-13(9)12-3-2-6-21-12;1-2-13(20-7-1)14-11(10-3-5-16-6-4-10)8-12-15(19-14)18-9-17-12/h2-8H,1H3,(H,17,18,20);1-9H,(H,17,18,19)
InChIKeyFRSHSKIAKMJZAL-UHFFFAOYSA-N
MW571.63 g/mol
LogP6.68
Rot. Bonds5

About 5-(furan-2-yl)-6-(2-methylsulfanylpyrimidin-4-yl)-1H-imidazo[4,5-b]pyridine;5-(furan-2-yl)-6-pyridin-4-yl-1H-imidazo[4,5-b]pyridine

5-(furan-2-yl)-6-(2-methylsulfanylpyrimidin-4-yl)-1H-imidazo[4,5-b]pyridine;5-(furan-2-yl)-6-pyridin-4-yl-1H-imidazo[4,5-b]pyridine (PubChem CID 158122003) has the molecular formula C30H21N9O2S and a molecular weight of 571.63 g/mol. Its IUPAC name is 5-(furan-2-yl)-6-(2-methylsulfanylpyrimidin-4-yl)-1H-imidazo[4,5-b]pyridine;5-(furan-2-yl)-6-pyridin-4-yl-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name5-(furan-2-yl)-6-(2-methylsulfanylpyrimidin-4-yl)-1H-imidazo[4,5-b]pyridine;5-(furan-2-yl)-6-pyridin-4-yl-1H-imidazo[4,5-b]pyridine
PubChem CID158122003
Molecular FormulaC30H21N9O2S
Molecular Weight571.63 g/mol
Exact Mass571.15
IUPAC Name5-(furan-2-yl)-6-(2-methylsulfanylpyrimidin-4-yl)-1H-imidazo[4,5-b]pyridine;5-(furan-2-yl)-6-pyridin-4-yl-1H-imidazo[4,5-b]pyridine
SMILESCSc1nccc(-c2cc3[nH]cnc3nc2-c2ccco2)n1.c1coc(-c2nc3nc[nH]c3cc2-c2ccncc2)c1
InChIInChI=1S/C15H11N5OS.C15H10N4O/c1-22-15-16-5-4-10(19-15)9-7-11-14(18-8-17-11)20-13(9)12-3-2-6-21-12;1-2-13(20-7-1)14-11(10-3-5-16-6-4-10)8-12-15(19-14)18-9-17-12/h2-8H,1H3,(H,17,18,20);1-9H,(H,17,18,19)
InChIKeyFRSHSKIAKMJZAL-UHFFFAOYSA-N
XLogP6.68
TPSA148.09 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.63
LogP ≤ 56.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 5-(furan-2-yl)-6-(2-methylsulfanylpyrimidin-4-yl)-1H-imidazo[4,5-b]pyridine;5-(furan-2-yl)-6-pyridin-4-yl-1H-imidazo[4,5-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

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Related Compounds

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6-(furan-2-yl)-5-pyridin-4-ylpyridin-2-amine
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5-(2-ethylpyrimidin-4-yl)-6-(furan-2-yl)pyridine-2,3-diamine
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5-(3-chlorophenyl)-6-(2-methylsulfanylpyrimidin-4-yl)pyrazine-2,3-diamine;5-(2-fluorophenyl)-6-(2-methylsulfanylpyrimidin-4-yl)-1H-imidazo[4,5-b]pyrazine
CID 160878709
6-(furan-2-yl)-5-(2-propan-2-yloxypyrimidin-4-yl)-1H-pyrazolo[3,4-b]pyridine
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[2-(2-methylsulfanylpyrimidin-4-yl)phenyl]methanol
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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-6-(2-methylsulfanylpyrimidin-4-yl)-1H-imidazo[4,5-b]pyridine;5-(furan-2-yl)-6-pyridin-4-yl-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 5-(furan-2-yl)-6-(2-methylsulfanylpyrimidin-4-yl)-1H-imidazo[4,5-b]pyridine;5-(furan-2-yl)-6-pyridin-4-yl-1H-imidazo[4,5-b]pyridine (CID 158122003) is 5-(furan-2-yl)-6-(2-methylsulfanylpyrimidin-4-yl)-1H-imidazo[4,5-b]pyridine;5-(furan-2-yl)-6-pyridin-4-yl-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 5-(furan-2-yl)-6-(2-methylsulfanylpyrimidin-4-yl)-1H-imidazo[4,5-b]pyridine;5-(furan-2-yl)-6-pyridin-4-yl-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 5-(furan-2-yl)-6-(2-methylsulfanylpyrimidin-4-yl)-1H-imidazo[4,5-b]pyridine;5-(furan-2-yl)-6-pyridin-4-yl-1H-imidazo[4,5-b]pyridine is CSc1nccc(-c2cc3[nH]cnc3nc2-c2ccco2)n1.c1coc(-c2nc3nc[nH]c3cc2-c2ccncc2)c1.
What is the InChIKey of 5-(furan-2-yl)-6-(2-methylsulfanylpyrimidin-4-yl)-1H-imidazo[4,5-b]pyridine;5-(furan-2-yl)-6-pyridin-4-yl-1H-imidazo[4,5-b]pyridine?
The InChIKey is FRSHSKIAKMJZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5OS.C15H10N4O/c1-22-15-16-5-4-10(19-15)9-7-11-14(18-8-17-11)20-13(9)12-3-2-6-21-12;1-2-13(20-7-1)14-11(10-3-5-16-6-4-10)8-12-15(19-14)18-9-17-12/h2-8H,1H3,(H,17,18,20);1-9H,(H,17,18,19).
What are the key properties of 5-(furan-2-yl)-6-(2-methylsulfanylpyrimidin-4-yl)-1H-imidazo[4,5-b]pyridine;5-(furan-2-yl)-6-pyridin-4-yl-1H-imidazo[4,5-b]pyridine?
5-(furan-2-yl)-6-(2-methylsulfanylpyrimidin-4-yl)-1H-imidazo[4,5-b]pyridine;5-(furan-2-yl)-6-pyridin-4-yl-1H-imidazo[4,5-b]pyridine has a molecular weight of 571.63 g/mol, XLogP of 6.68, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-6-(2-methylsulfanylpyrimidin-4-yl)-1H-imidazo[4,5-b]pyridine;5-(furan-2-yl)-6-pyridin-4-yl-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 158122003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).