2-[2-[(3-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-(furan-2-ylmethyl)acetamide

C20H17FN4O2S — CID 20890602

IUPAC2-[2-[(3-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(Cn1c(SCc2cccc(F)c2)nc2ccncc21)NCc1ccco1
InChIInChI=1S/C20H17FN4O2S/c21-15-4-1-3-14(9-15)13-28-20-24-17-6-7-22-11-18(17)25(20)12-19(26)23-10-16-5-2-8-27-16/h1-9,11H,10,12-13H2,(H,23,26)
InChIKeyKBWFYIDNQXFTGN-UHFFFAOYSA-N
MW396.45 g/mol
LogP3.77
Rot. Bonds7

About 2-[2-[(3-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-(furan-2-ylmethyl)acetamide

2-[2-[(3-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 20890602) has the molecular formula C20H17FN4O2S and a molecular weight of 396.45 g/mol. Its IUPAC name is 2-[2-[(3-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-[(3-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-(furan-2-ylmethyl)acetamide
PubChem CID20890602
Molecular FormulaC20H17FN4O2S
Molecular Weight396.45 g/mol
Exact Mass396.11
IUPAC Name2-[2-[(3-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(Cn1c(SCc2cccc(F)c2)nc2ccncc21)NCc1ccco1
InChIInChI=1S/C20H17FN4O2S/c21-15-4-1-3-14(9-15)13-28-20-24-17-6-7-22-11-18(17)25(20)12-19(26)23-10-16-5-2-8-27-16/h1-9,11H,10,12-13H2,(H,23,26)
InChIKeyKBWFYIDNQXFTGN-UHFFFAOYSA-N
XLogP3.77
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[2-[(3-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-(furan-2-ylmethyl)acetamide (CID 20890602) is 2-[2-[(3-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[2-[(3-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[2-[(3-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-(furan-2-ylmethyl)acetamide is O=C(Cn1c(SCc2cccc(F)c2)nc2ccncc21)NCc1ccco1.
What is the InChIKey of 2-[2-[(3-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is KBWFYIDNQXFTGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O2S/c21-15-4-1-3-14(9-15)13-28-20-24-17-6-7-22-11-18(17)25(20)12-19(26)23-10-16-5-2-8-27-16/h1-9,11H,10,12-13H2,(H,23,26).
What are the key properties of 2-[2-[(3-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-(furan-2-ylmethyl)acetamide?
2-[2-[(3-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 396.45 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 20890602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).