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

C24H19BrFN7O2S — CID 168886041

IUPAC5-bromo-N-[3-[2-(3-fluoro-2-pyridinyl)-6-(1,3,4-oxadiazol-2-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]thiophene-2-carboxamide
SMILESO=C(NC1CCCC(n2c(-c3ncccc3F)nc3cnc(-c4nnco4)cc32)C1)c1ccc(Br)s1
InChIInChI=1S/C24H19BrFN7O2S/c25-20-7-6-19(36-20)23(34)30-13-3-1-4-14(9-13)33-18-10-16(24-32-29-12-35-24)28-11-17(18)31-22(33)21-15(26)5-2-8-27-21/h2,5-8,10-14H,1,3-4,9H2,(H,30,34)
InChIKeyBAWAOOFJDQNTKG-UHFFFAOYSA-N
MW568.43 g/mol
LogP5.42
Rot. Bonds5

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

5-bromo-N-[3-[2-(3-fluoro-2-pyridinyl)-6-(1,3,4-oxadiazol-2-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]thiophene-2-carboxamide (PubChem CID 168886041) has the molecular formula C24H19BrFN7O2S and a molecular weight of 568.43 g/mol. Its IUPAC name is 5-bromo-N-[3-[2-(3-fluoro-2-pyridinyl)-6-(1,3,4-oxadiazol-2-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[3-[2-(3-fluoro-2-pyridinyl)-6-(1,3,4-oxadiazol-2-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]thiophene-2-carboxamide
PubChem CID168886041
Molecular FormulaC24H19BrFN7O2S
Molecular Weight568.43 g/mol
Exact Mass567.05
IUPAC Name5-bromo-N-[3-[2-(3-fluoro-2-pyridinyl)-6-(1,3,4-oxadiazol-2-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]thiophene-2-carboxamide
SMILESO=C(NC1CCCC(n2c(-c3ncccc3F)nc3cnc(-c4nnco4)cc32)C1)c1ccc(Br)s1
InChIInChI=1S/C24H19BrFN7O2S/c25-20-7-6-19(36-20)23(34)30-13-3-1-4-14(9-13)33-18-10-16(24-32-29-12-35-24)28-11-17(18)31-22(33)21-15(26)5-2-8-27-21/h2,5-8,10-14H,1,3-4,9H2,(H,30,34)
InChIKeyBAWAOOFJDQNTKG-UHFFFAOYSA-N
XLogP5.42
TPSA111.62 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.43
LogP ≤ 55.42
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-[2-(3-fluoro-2-pyridinyl)-6-(1,3,4-oxadiazol-2-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[3-[2-(3-fluoro-2-pyridinyl)-6-(1,3,4-oxadiazol-2-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]thiophene-2-carboxamide (CID 168886041) is 5-bromo-N-[3-[2-(3-fluoro-2-pyridinyl)-6-(1,3,4-oxadiazol-2-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[3-[2-(3-fluoro-2-pyridinyl)-6-(1,3,4-oxadiazol-2-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[3-[2-(3-fluoro-2-pyridinyl)-6-(1,3,4-oxadiazol-2-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]thiophene-2-carboxamide is O=C(NC1CCCC(n2c(-c3ncccc3F)nc3cnc(-c4nnco4)cc32)C1)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[3-[2-(3-fluoro-2-pyridinyl)-6-(1,3,4-oxadiazol-2-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]thiophene-2-carboxamide?
The InChIKey is BAWAOOFJDQNTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19BrFN7O2S/c25-20-7-6-19(36-20)23(34)30-13-3-1-4-14(9-13)33-18-10-16(24-32-29-12-35-24)28-11-17(18)31-22(33)21-15(26)5-2-8-27-21/h2,5-8,10-14H,1,3-4,9H2,(H,30,34).
What are the key properties of 5-bromo-N-[3-[2-(3-fluoro-2-pyridinyl)-6-(1,3,4-oxadiazol-2-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]thiophene-2-carboxamide?
5-bromo-N-[3-[2-(3-fluoro-2-pyridinyl)-6-(1,3,4-oxadiazol-2-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]thiophene-2-carboxamide has a molecular weight of 568.43 g/mol, XLogP of 5.42, 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-[2-(3-fluoro-2-pyridinyl)-6-(1,3,4-oxadiazol-2-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]thiophene-2-carboxamide is sourced from PubChem (CID 168886041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).