5-bromo-N-[3-[6-(1,3,4-oxadiazol-2-yl)-2-pyridin-2-ylimidazo[4,5-c]pyridin-3-yl]cyclohexyl]thiophene-2-carboxamide

C24H20BrN7O2S — CID 168886067

IUPAC5-bromo-N-[3-[6-(1,3,4-oxadiazol-2-yl)-2-pyridin-2-ylimidazo[4,5-c]pyridin-3-yl]cyclohexyl]thiophene-2-carboxamide
SMILESO=C(NC1CCCC(n2c(-c3ccccn3)nc3cc(-c4nnco4)ncc32)C1)c1ccc(Br)s1
InChIInChI=1S/C24H20BrN7O2S/c25-21-8-7-20(35-21)23(33)29-14-4-3-5-15(10-14)32-19-12-27-18(24-31-28-13-34-24)11-17(19)30-22(32)16-6-1-2-9-26-16/h1-2,6-9,11-15H,3-5,10H2,(H,29,33)
InChIKeyUEVWQTWVVRCXAR-UHFFFAOYSA-N
MW550.44 g/mol
LogP5.28
Rot. Bonds5

About 5-bromo-N-[3-[6-(1,3,4-oxadiazol-2-yl)-2-pyridin-2-ylimidazo[4,5-c]pyridin-3-yl]cyclohexyl]thiophene-2-carboxamide

5-bromo-N-[3-[6-(1,3,4-oxadiazol-2-yl)-2-pyridin-2-ylimidazo[4,5-c]pyridin-3-yl]cyclohexyl]thiophene-2-carboxamide (PubChem CID 168886067) has the molecular formula C24H20BrN7O2S and a molecular weight of 550.44 g/mol. Its IUPAC name is 5-bromo-N-[3-[6-(1,3,4-oxadiazol-2-yl)-2-pyridin-2-ylimidazo[4,5-c]pyridin-3-yl]cyclohexyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[3-[6-(1,3,4-oxadiazol-2-yl)-2-pyridin-2-ylimidazo[4,5-c]pyridin-3-yl]cyclohexyl]thiophene-2-carboxamide
PubChem CID168886067
Molecular FormulaC24H20BrN7O2S
Molecular Weight550.44 g/mol
Exact Mass549.06
IUPAC Name5-bromo-N-[3-[6-(1,3,4-oxadiazol-2-yl)-2-pyridin-2-ylimidazo[4,5-c]pyridin-3-yl]cyclohexyl]thiophene-2-carboxamide
SMILESO=C(NC1CCCC(n2c(-c3ccccn3)nc3cc(-c4nnco4)ncc32)C1)c1ccc(Br)s1
InChIInChI=1S/C24H20BrN7O2S/c25-21-8-7-20(35-21)23(33)29-14-4-3-5-15(10-14)32-19-12-27-18(24-31-28-13-34-24)11-17(19)30-22(32)16-6-1-2-9-26-16/h1-2,6-9,11-15H,3-5,10H2,(H,29,33)
InChIKeyUEVWQTWVVRCXAR-UHFFFAOYSA-N
XLogP5.28
TPSA111.62 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.44
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-[6-(1,3,4-oxadiazol-2-yl)-2-pyridin-2-ylimidazo[4,5-c]pyridin-3-yl]cyclohexyl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[3-[6-(1,3,4-oxadiazol-2-yl)-2-pyridin-2-ylimidazo[4,5-c]pyridin-3-yl]cyclohexyl]thiophene-2-carboxamide (CID 168886067) is 5-bromo-N-[3-[6-(1,3,4-oxadiazol-2-yl)-2-pyridin-2-ylimidazo[4,5-c]pyridin-3-yl]cyclohexyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[3-[6-(1,3,4-oxadiazol-2-yl)-2-pyridin-2-ylimidazo[4,5-c]pyridin-3-yl]cyclohexyl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[3-[6-(1,3,4-oxadiazol-2-yl)-2-pyridin-2-ylimidazo[4,5-c]pyridin-3-yl]cyclohexyl]thiophene-2-carboxamide is O=C(NC1CCCC(n2c(-c3ccccn3)nc3cc(-c4nnco4)ncc32)C1)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[3-[6-(1,3,4-oxadiazol-2-yl)-2-pyridin-2-ylimidazo[4,5-c]pyridin-3-yl]cyclohexyl]thiophene-2-carboxamide?
The InChIKey is UEVWQTWVVRCXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20BrN7O2S/c25-21-8-7-20(35-21)23(33)29-14-4-3-5-15(10-14)32-19-12-27-18(24-31-28-13-34-24)11-17(19)30-22(32)16-6-1-2-9-26-16/h1-2,6-9,11-15H,3-5,10H2,(H,29,33).
What are the key properties of 5-bromo-N-[3-[6-(1,3,4-oxadiazol-2-yl)-2-pyridin-2-ylimidazo[4,5-c]pyridin-3-yl]cyclohexyl]thiophene-2-carboxamide?
5-bromo-N-[3-[6-(1,3,4-oxadiazol-2-yl)-2-pyridin-2-ylimidazo[4,5-c]pyridin-3-yl]cyclohexyl]thiophene-2-carboxamide has a molecular weight of 550.44 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-[6-(1,3,4-oxadiazol-2-yl)-2-pyridin-2-ylimidazo[4,5-c]pyridin-3-yl]cyclohexyl]thiophene-2-carboxamide is sourced from PubChem (CID 168886067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).