4-(2-bromoethoxy)-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide

C26H19BrN4O2S — CID 58101455

IUPAC4-(2-bromoethoxy)-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccccc1-c1nc2cccnc2s1)c1cc(OCCBr)cc(-c2ccccc2)n1
InChIInChI=1S/C26H19BrN4O2S/c27-12-14-33-18-15-22(17-7-2-1-3-8-17)29-23(16-18)24(32)30-20-10-5-4-9-19(20)25-31-21-11-6-13-28-26(21)34-25/h1-11,13,15-16H,12,14H2,(H,30,32)
InChIKeyAUAIUYKGAHLVNQ-UHFFFAOYSA-N
MW531.44 g/mol
LogP6.45
Rot. Bonds7

About 4-(2-bromoethoxy)-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide

4-(2-bromoethoxy)-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide (PubChem CID 58101455) has the molecular formula C26H19BrN4O2S and a molecular weight of 531.44 g/mol. Its IUPAC name is 4-(2-bromoethoxy)-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(2-bromoethoxy)-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide
PubChem CID58101455
Molecular FormulaC26H19BrN4O2S
Molecular Weight531.44 g/mol
Exact Mass530.04
IUPAC Name4-(2-bromoethoxy)-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccccc1-c1nc2cccnc2s1)c1cc(OCCBr)cc(-c2ccccc2)n1
InChIInChI=1S/C26H19BrN4O2S/c27-12-14-33-18-15-22(17-7-2-1-3-8-17)29-23(16-18)24(32)30-20-10-5-4-9-19(20)25-31-21-11-6-13-28-26(21)34-25/h1-11,13,15-16H,12,14H2,(H,30,32)
InChIKeyAUAIUYKGAHLVNQ-UHFFFAOYSA-N
XLogP6.45
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.44
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-bromoethoxy)-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 4-(2-bromoethoxy)-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide (CID 58101455) is 4-(2-bromoethoxy)-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(2-bromoethoxy)-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(2-bromoethoxy)-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide is O=C(Nc1ccccc1-c1nc2cccnc2s1)c1cc(OCCBr)cc(-c2ccccc2)n1.
What is the InChIKey of 4-(2-bromoethoxy)-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide?
The InChIKey is AUAIUYKGAHLVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19BrN4O2S/c27-12-14-33-18-15-22(17-7-2-1-3-8-17)29-23(16-18)24(32)30-20-10-5-4-9-19(20)25-31-21-11-6-13-28-26(21)34-25/h1-11,13,15-16H,12,14H2,(H,30,32).
What are the key properties of 4-(2-bromoethoxy)-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide?
4-(2-bromoethoxy)-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide has a molecular weight of 531.44 g/mol, XLogP of 6.45, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromoethoxy)-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 58101455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).