2-(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide

C20H18N4O2S — CID 646123

IUPAC2-(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CSc1nc2cccnc2n1Cc1ccccc1)NCc1ccco1
InChIInChI=1S/C20H18N4O2S/c25-18(22-12-16-8-5-11-26-16)14-27-20-23-17-9-4-10-21-19(17)24(20)13-15-6-2-1-3-7-15/h1-11H,12-14H2,(H,22,25)
InChIKeyGNUCOEDJPTVHKP-UHFFFAOYSA-N
MW378.46 g/mol
LogP3.48
Rot. Bonds7

About 2-(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide

2-(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide (PubChem CID 646123) has the molecular formula C20H18N4O2S and a molecular weight of 378.46 g/mol. Its IUPAC name is 2-(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide
PubChem CID646123
Molecular FormulaC20H18N4O2S
Molecular Weight378.46 g/mol
Exact Mass378.12
IUPAC Name2-(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CSc1nc2cccnc2n1Cc1ccccc1)NCc1ccco1
InChIInChI=1S/C20H18N4O2S/c25-18(22-12-16-8-5-11-26-16)14-27-20-23-17-9-4-10-21-19(17)24(20)13-15-6-2-1-3-7-15/h1-11H,12-14H2,(H,22,25)
InChIKeyGNUCOEDJPTVHKP-UHFFFAOYSA-N
XLogP3.48
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide (CID 646123) is 2-(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide is O=C(CSc1nc2cccnc2n1Cc1ccccc1)NCc1ccco1.
What is the InChIKey of 2-(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide?
The InChIKey is GNUCOEDJPTVHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2S/c25-18(22-12-16-8-5-11-26-16)14-27-20-23-17-9-4-10-21-19(17)24(20)13-15-6-2-1-3-7-15/h1-11H,12-14H2,(H,22,25).
What are the key properties of 2-(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide?
2-(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide has a molecular weight of 378.46 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 646123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).