4-[[3-[(2-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]sulfanylmethyl]-N-(oxolan-2-ylmethyl)benzamide

C26H25FN4O2S — CID 46275460

IUPAC4-[[3-[(2-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]sulfanylmethyl]-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCO1)c1ccc(CSc2nc3cccnc3n2Cc2ccccc2F)cc1
InChIInChI=1S/C26H25FN4O2S/c27-22-7-2-1-5-20(22)16-31-24-23(8-3-13-28-24)30-26(31)34-17-18-9-11-19(12-10-18)25(32)29-15-21-6-4-14-33-21/h1-3,5,7-13,21H,4,6,14-17H2,(H,29,32)
InChIKeyOHKVLVCAFSBUFK-UHFFFAOYSA-N
MW476.58 g/mol
LogP4.82
Rot. Bonds8

About 4-[[3-[(2-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]sulfanylmethyl]-N-(oxolan-2-ylmethyl)benzamide

4-[[3-[(2-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]sulfanylmethyl]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 46275460) has the molecular formula C26H25FN4O2S and a molecular weight of 476.58 g/mol. Its IUPAC name is 4-[[3-[(2-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]sulfanylmethyl]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[[3-[(2-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]sulfanylmethyl]-N-(oxolan-2-ylmethyl)benzamide
PubChem CID46275460
Molecular FormulaC26H25FN4O2S
Molecular Weight476.58 g/mol
Exact Mass476.17
IUPAC Name4-[[3-[(2-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]sulfanylmethyl]-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCO1)c1ccc(CSc2nc3cccnc3n2Cc2ccccc2F)cc1
InChIInChI=1S/C26H25FN4O2S/c27-22-7-2-1-5-20(22)16-31-24-23(8-3-13-28-24)30-26(31)34-17-18-9-11-19(12-10-18)25(32)29-15-21-6-4-14-33-21/h1-3,5,7-13,21H,4,6,14-17H2,(H,29,32)
InChIKeyOHKVLVCAFSBUFK-UHFFFAOYSA-N
XLogP4.82
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[[3-[(2-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]sulfanylmethyl]-N-(oxolan-2-ylmethyl)benzamide with MolForge

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Related Compounds

4-[[2-[(3-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 92742225
4-[[2-[(3-methylphenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 20908458
4-[[3-[(2-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]sulfanylmethyl]-N-[(3-methylphenyl)methyl]benzamide
CID 20908321
4-[[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 20908434
4-[(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanylmethyl]-N-(3-piperidin-1-ylpropyl)benzamide
CID 20887292
N-cycloheptyl-4-[[3-[(2-fluorophenyl)methyl]imidazo[4,5-c]pyridin-2-yl]sulfanylmethyl]benzamide
CID 20887133
4-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]sulfanylmethyl]-N-[(4-methylphenyl)methyl]benzamide
CID 20908295
4-[(2-benzylsulfanylimidazo[4,5-b]pyridin-3-yl)methyl]-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 20887418
4-[(2-benzylsulfanylimidazo[4,5-b]pyridin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 20908363
4-[[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 22589729
N-ethyl-4-[[2-[(3-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]methyl]benzamide
CID 20908422
4-[(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanylmethyl]benzoic acid
CID 53213141

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[(2-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]sulfanylmethyl]-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 4-[[3-[(2-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]sulfanylmethyl]-N-(oxolan-2-ylmethyl)benzamide (CID 46275460) is 4-[[3-[(2-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]sulfanylmethyl]-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[[3-[(2-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]sulfanylmethyl]-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 4-[[3-[(2-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]sulfanylmethyl]-N-(oxolan-2-ylmethyl)benzamide is O=C(NCC1CCCO1)c1ccc(CSc2nc3cccnc3n2Cc2ccccc2F)cc1.
What is the InChIKey of 4-[[3-[(2-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]sulfanylmethyl]-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is OHKVLVCAFSBUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O2S/c27-22-7-2-1-5-20(22)16-31-24-23(8-3-13-28-24)30-26(31)34-17-18-9-11-19(12-10-18)25(32)29-15-21-6-4-14-33-21/h1-3,5,7-13,21H,4,6,14-17H2,(H,29,32).
What are the key properties of 4-[[3-[(2-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]sulfanylmethyl]-N-(oxolan-2-ylmethyl)benzamide?
4-[[3-[(2-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]sulfanylmethyl]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 476.58 g/mol, XLogP of 4.82, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[(2-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]sulfanylmethyl]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 46275460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).