4-[(2-benzylsulfanylimidazo[4,5-b]pyridin-3-yl)methyl]-N-[2-(furan-2-yl)ethyl]benzamide

C27H24N4O2S — CID 20887415

IUPAC4-[(2-benzylsulfanylimidazo[4,5-b]pyridin-3-yl)methyl]-N-[2-(furan-2-yl)ethyl]benzamide
SMILESO=C(NCCc1ccco1)c1ccc(Cn2c(SCc3ccccc3)nc3cccnc32)cc1
InChIInChI=1S/C27H24N4O2S/c32-26(29-16-14-23-8-5-17-33-23)22-12-10-20(11-13-22)18-31-25-24(9-4-15-28-25)30-27(31)34-19-21-6-2-1-3-7-21/h1-13,15,17H,14,16,18-19H2,(H,29,32)
InChIKeyRWFPFUUGZSSIHT-UHFFFAOYSA-N
MW468.58 g/mol
LogP5.34
Rot. Bonds9

About 4-[(2-benzylsulfanylimidazo[4,5-b]pyridin-3-yl)methyl]-N-[2-(furan-2-yl)ethyl]benzamide

4-[(2-benzylsulfanylimidazo[4,5-b]pyridin-3-yl)methyl]-N-[2-(furan-2-yl)ethyl]benzamide (PubChem CID 20887415) has the molecular formula C27H24N4O2S and a molecular weight of 468.58 g/mol. Its IUPAC name is 4-[(2-benzylsulfanylimidazo[4,5-b]pyridin-3-yl)methyl]-N-[2-(furan-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-[(2-benzylsulfanylimidazo[4,5-b]pyridin-3-yl)methyl]-N-[2-(furan-2-yl)ethyl]benzamide
PubChem CID20887415
Molecular FormulaC27H24N4O2S
Molecular Weight468.58 g/mol
Exact Mass468.16
IUPAC Name4-[(2-benzylsulfanylimidazo[4,5-b]pyridin-3-yl)methyl]-N-[2-(furan-2-yl)ethyl]benzamide
SMILESO=C(NCCc1ccco1)c1ccc(Cn2c(SCc3ccccc3)nc3cccnc32)cc1
InChIInChI=1S/C27H24N4O2S/c32-26(29-16-14-23-8-5-17-33-23)22-12-10-20(11-13-22)18-31-25-24(9-4-15-28-25)30-27(31)34-19-21-6-2-1-3-7-21/h1-13,15,17H,14,16,18-19H2,(H,29,32)
InChIKeyRWFPFUUGZSSIHT-UHFFFAOYSA-N
XLogP5.34
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.58
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 10673545
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CID 73350613
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CID 135335815
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CID 646123
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CID 651858
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CID 656134
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CID 3238872
CID 3238872

Frequently Asked Questions

What is the IUPAC name of 4-[(2-benzylsulfanylimidazo[4,5-b]pyridin-3-yl)methyl]-N-[2-(furan-2-yl)ethyl]benzamide?
The IUPAC name of 4-[(2-benzylsulfanylimidazo[4,5-b]pyridin-3-yl)methyl]-N-[2-(furan-2-yl)ethyl]benzamide (CID 20887415) is 4-[(2-benzylsulfanylimidazo[4,5-b]pyridin-3-yl)methyl]-N-[2-(furan-2-yl)ethyl]benzamide.
What is the SMILES notation for 4-[(2-benzylsulfanylimidazo[4,5-b]pyridin-3-yl)methyl]-N-[2-(furan-2-yl)ethyl]benzamide?
The canonical SMILES for 4-[(2-benzylsulfanylimidazo[4,5-b]pyridin-3-yl)methyl]-N-[2-(furan-2-yl)ethyl]benzamide is O=C(NCCc1ccco1)c1ccc(Cn2c(SCc3ccccc3)nc3cccnc32)cc1.
What is the InChIKey of 4-[(2-benzylsulfanylimidazo[4,5-b]pyridin-3-yl)methyl]-N-[2-(furan-2-yl)ethyl]benzamide?
The InChIKey is RWFPFUUGZSSIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O2S/c32-26(29-16-14-23-8-5-17-33-23)22-12-10-20(11-13-22)18-31-25-24(9-4-15-28-25)30-27(31)34-19-21-6-2-1-3-7-21/h1-13,15,17H,14,16,18-19H2,(H,29,32).
What are the key properties of 4-[(2-benzylsulfanylimidazo[4,5-b]pyridin-3-yl)methyl]-N-[2-(furan-2-yl)ethyl]benzamide?
4-[(2-benzylsulfanylimidazo[4,5-b]pyridin-3-yl)methyl]-N-[2-(furan-2-yl)ethyl]benzamide has a molecular weight of 468.58 g/mol, XLogP of 5.34, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-benzylsulfanylimidazo[4,5-b]pyridin-3-yl)methyl]-N-[2-(furan-2-yl)ethyl]benzamide is sourced from PubChem (CID 20887415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).