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

C56H48BrN9O5S2 — CID 157164836

About 4-(2-bromoethoxy)-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide;4-[2-[2-methoxyethyl(methyl)amino]ethoxy]-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;4-[2-[2-methoxyethyl(methyl)amino]ethoxy]-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide (PubChem CID 157164836) has the molecular formula C56H48BrN9O5S2 and a molecular weight of 1071.10 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;4-[2-[2-methoxyethyl(methyl)amino]ethoxy]-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 4-(2-bromoethoxy)-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide;4-[2-[2-methoxyethyl(methyl)amino]ethoxy]-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide
• PubChem CID: 157164836
• Molecular Formula: C56H48BrN9O5S2
• Molecular Weight: 1071.10 g/mol
• Exact Mass: 1069.24
• IUPAC Name: 4-(2-bromoethoxy)-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide;4-[2-[2-methoxyethyl(methyl)amino]ethoxy]-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide
• SMILES: COCCN(C)CCOc1cc(C(=O)Nc2ccccc2-c2nc3cccnc3s2)nc(-c2ccccc2)c1.O=C(Nc1ccccc1-c1nc2cccnc2s1)c1cc(OCCBr)cc(-c2ccccc2)n1
• InChI: InChI=1S/C30H29N5O3S.C26H19BrN4O2S/c1-35(15-17-37-2)16-18-38-22-19-26(21-9-4-3-5-10-21)32-27(20-22)28(36)33-24-12-7-6-11-23(24)29-34-25-13-8-14-31-30(25)39-29;27-12-14-33-18-15-22(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/h3-14,19-20H,15-18H2,1-2H3,(H,33,36);1-11,13,15-16H,12,14H2,(H,30,32)
• InChIKey: AMUBMXKKPSAFGC-UHFFFAOYSA-N
• XLogP: 12.08
• TPSA: 166.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 18
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1071.10
LogP ≤ 5	12.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

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;4-[2-[2-methoxyethyl(methyl)amino]ethoxy]-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;4-[2-[2-methoxyethyl(methyl)amino]ethoxy]-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide (CID 157164836) is 4-(2-bromoethoxy)-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide;4-[2-[2-methoxyethyl(methyl)amino]ethoxy]-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;4-[2-[2-methoxyethyl(methyl)amino]ethoxy]-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;4-[2-[2-methoxyethyl(methyl)amino]ethoxy]-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide is COCCN(C)CCOc1cc(C(=O)Nc2ccccc2-c2nc3cccnc3s2)nc(-c2ccccc2)c1.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;4-[2-[2-methoxyethyl(methyl)amino]ethoxy]-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide?

The InChIKey is AMUBMXKKPSAFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N5O3S.C26H19BrN4O2S/c1-35(15-17-37-2)16-18-38-22-19-26(21-9-4-3-5-10-21)32-27(20-22)28(36)33-24-12-7-6-11-23(24)29-34-25-13-8-14-31-30(25)39-29;27-12-14-33-18-15-22(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/h3-14,19-20H,15-18H2,1-2H3,(H,33,36);1-11,13,15-16H,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-[2-methoxyethyl(methyl)amino]ethoxy]-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;4-[2-[2-methoxyethyl(methyl)amino]ethoxy]-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide has a molecular weight of 1071.10 g/mol, XLogP of 12.08, 18 rotatable bonds, 2 hydrogen bond donors, and 14 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;4-[2-[2-methoxyethyl(methyl)amino]ethoxy]-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 157164836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).