5-bromo-N-[(1S,3R)-3-[2-(3-fluoro-2-pyridinyl)-6-(1,3-oxazol-2-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]thiophene-2-carboxamide

C₂₅H₂₀BrFN₆O₂S — CID 168886235

About 5-bromo-N-[(1S,3R)-3-[2-(3-fluoro-2-pyridinyl)-6-(1,3-oxazol-2-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]thiophene-2-carboxamide

5-bromo-N-[(1S,3R)-3-[2-(3-fluoro-2-pyridinyl)-6-(1,3-oxazol-2-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]thiophene-2-carboxamide (PubChem CID 168886235) has the molecular formula C₂₅H₂₀BrFN₆O₂S and a molecular weight of 567.44 g/mol. Its IUPAC name is 5-bromo-N-[(1S,3R)-3-[2-(3-fluoro-2-pyridinyl)-6-(1,3-oxazol-2-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 5-bromo-N-[(1S,3R)-3-[2-(3-fluoro-2-pyridinyl)-6-(1,3-oxazol-2-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]thiophene-2-carboxamide
• PubChem CID: 168886235
• Molecular Formula: C₂₅H₂₀BrFN₆O₂S
• Molecular Weight: 567.44 g/mol
• Exact Mass: 566.05
• IUPAC Name: 5-bromo-N-[(1S,3R)-3-[2-(3-fluoro-2-pyridinyl)-6-(1,3-oxazol-2-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]thiophene-2-carboxamide
• SMILES: O=C(N[C@H]1CCC[C@@H](n2c(-c3ncccc3F)nc3cnc(-c4ncco4)cc32)C1)c1ccc(Br)s1
• InChI: InChI=1S/C25H20BrFN6O2S/c26-21-7-6-20(36-21)24(34)31-14-3-1-4-15(11-14)33-19-12-17(25-29-9-10-35-25)30-13-18(19)32-23(33)22-16(27)5-2-8-28-22/h2,5-10,12-15H,1,3-4,11H2,(H,31,34)/t14-,15+/m0/s1
• InChIKey: LVMQCRTYARIQQU-LSDHHAIUSA-N
• XLogP: 6.03
• TPSA: 98.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	567.44
LogP ≤ 5	6.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(1S,3R)-3-[2-(3-fluoro-2-pyridinyl)-6-(1,3-oxazol-2-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]thiophene-2-carboxamide?

The IUPAC name of 5-bromo-N-[(1S,3R)-3-[2-(3-fluoro-2-pyridinyl)-6-(1,3-oxazol-2-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]thiophene-2-carboxamide (CID 168886235) is 5-bromo-N-[(1S,3R)-3-[2-(3-fluoro-2-pyridinyl)-6-(1,3-oxazol-2-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]thiophene-2-carboxamide.

What is the SMILES notation for 5-bromo-N-[(1S,3R)-3-[2-(3-fluoro-2-pyridinyl)-6-(1,3-oxazol-2-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]thiophene-2-carboxamide?

The canonical SMILES for 5-bromo-N-[(1S,3R)-3-[2-(3-fluoro-2-pyridinyl)-6-(1,3-oxazol-2-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]thiophene-2-carboxamide is O=C(N[C@H]1CCC[C@@H](n2c(-c3ncccc3F)nc3cnc(-c4ncco4)cc32)C1)c1ccc(Br)s1.

What is the InChIKey of 5-bromo-N-[(1S,3R)-3-[2-(3-fluoro-2-pyridinyl)-6-(1,3-oxazol-2-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]thiophene-2-carboxamide?

The InChIKey is LVMQCRTYARIQQU-LSDHHAIUSA-N. The full InChI is InChI=1S/C25H20BrFN6O2S/c26-21-7-6-20(36-21)24(34)31-14-3-1-4-15(11-14)33-19-12-17(25-29-9-10-35-25)30-13-18(19)32-23(33)22-16(27)5-2-8-28-22/h2,5-10,12-15H,1,3-4,11H2,(H,31,34)/t14-,15+/m0/s1.

What are the key properties of 5-bromo-N-[(1S,3R)-3-[2-(3-fluoro-2-pyridinyl)-6-(1,3-oxazol-2-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]thiophene-2-carboxamide?

5-bromo-N-[(1S,3R)-3-[2-(3-fluoro-2-pyridinyl)-6-(1,3-oxazol-2-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]thiophene-2-carboxamide has a molecular weight of 567.44 g/mol, XLogP of 6.03, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-N-[(1S,3R)-3-[2-(3-fluoro-2-pyridinyl)-6-(1,3-oxazol-2-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]thiophene-2-carboxamide is sourced from PubChem (CID 168886235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 168886235 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.