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

C26H21FN4O2S — CID 20891285

IUPAC4-[[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-N-(furan-2-ylmethyl)benzamide
SMILESO=C(NCc1ccco1)c1ccc(Cn2c(SCc3ccccc3F)nc3ccncc32)cc1
InChIInChI=1S/C26H21FN4O2S/c27-22-6-2-1-4-20(22)17-34-26-30-23-11-12-28-15-24(23)31(26)16-18-7-9-19(10-8-18)25(32)29-14-21-5-3-13-33-21/h1-13,15H,14,16-17H2,(H,29,32)
InChIKeySKBIHABEKMTSJM-UHFFFAOYSA-N
MW472.55 g/mol
LogP5.43
Rot. Bonds8

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

4-[[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-N-(furan-2-ylmethyl)benzamide (PubChem CID 20891285) has the molecular formula C26H21FN4O2S and a molecular weight of 472.55 g/mol. Its IUPAC name is 4-[[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-N-(furan-2-ylmethyl)benzamide
PubChem CID20891285
Molecular FormulaC26H21FN4O2S
Molecular Weight472.55 g/mol
Exact Mass472.14
IUPAC Name4-[[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-N-(furan-2-ylmethyl)benzamide
SMILESO=C(NCc1ccco1)c1ccc(Cn2c(SCc3ccccc3F)nc3ccncc32)cc1
InChIInChI=1S/C26H21FN4O2S/c27-22-6-2-1-4-20(22)17-34-26-30-23-11-12-28-15-24(23)31(26)16-18-7-9-19(10-8-18)25(32)29-14-21-5-3-13-33-21/h1-13,15H,14,16-17H2,(H,29,32)
InChIKeySKBIHABEKMTSJM-UHFFFAOYSA-N
XLogP5.43
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.55
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-c]pyridin-2-yl]sulfanylmethyl]-N-(furan-2-ylmethyl)benzamide
CID 20891065
N-(furan-2-ylmethyl)-4-[[3-[(3-methylphenyl)methyl]imidazo[4,5-c]pyridin-2-yl]sulfanylmethyl]benzamide
CID 20891000
N-(furan-2-ylmethyl)-4-[[3-[(3-methoxyphenyl)methyl]imidazo[4,5-c]pyridin-2-yl]sulfanylmethyl]benzamide
CID 20891081
N-[(3-fluorophenyl)methyl]-4-[[3-[(2-fluorophenyl)methyl]imidazo[4,5-c]pyridin-2-yl]sulfanylmethyl]benzamide;oxalic acid
CID 146051877
N-methyl-4-[[2-[(2-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]benzamide
CID 20891329
4-[(2-benzylsulfanylimidazo[4,5-c]pyridin-3-yl)methyl]-N-(thiophen-2-ylmethyl)benzamide
CID 20891164
N-[(2-methoxyphenyl)methyl]-4-[[2-[(4-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]benzamide
CID 46288270
N-[(2-chlorophenyl)methyl]-4-[[2-[(4-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]benzamide
CID 46288182
2-[(2-fluorophenyl)methylsulfanyl]-N-(furan-2-ylmethyl)-4-oxo-3-pentylquinazoline-7-carboxamide
CID 4149966
4-[[2-[(3-chlorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-N-[(4-fluorophenyl)methyl]benzamide
CID 46288282
N-[(2-chlorophenyl)methyl]-4-[[3-[(2-methylphenyl)methyl]imidazo[4,5-c]pyridin-2-yl]sulfanylmethyl]benzamide
CID 20887104
N-cycloheptyl-4-[[3-[(2-fluorophenyl)methyl]imidazo[4,5-c]pyridin-2-yl]sulfanylmethyl]benzamide
CID 20887133

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 4-[[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-N-(furan-2-ylmethyl)benzamide (CID 20891285) is 4-[[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 4-[[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-N-(furan-2-ylmethyl)benzamide is O=C(NCc1ccco1)c1ccc(Cn2c(SCc3ccccc3F)nc3ccncc32)cc1.
What is the InChIKey of 4-[[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is SKBIHABEKMTSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN4O2S/c27-22-6-2-1-4-20(22)17-34-26-30-23-11-12-28-15-24(23)31(26)16-18-7-9-19(10-8-18)25(32)29-14-21-5-3-13-33-21/h1-13,15H,14,16-17H2,(H,29,32).
What are the key properties of 4-[[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-N-(furan-2-ylmethyl)benzamide?
4-[[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 472.55 g/mol, XLogP of 5.43, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 20891285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).