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

C59H53BrN10O5S2 — CID 159288659

About 4-(2-bromoethoxy)-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide;4-[2-[4-(2-methoxyethyl)piperazin-1-yl]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-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide (PubChem CID 159288659) has the molecular formula C59H53BrN10O5S2 and a molecular weight of 1126.18 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-[4-(2-methoxyethyl)piperazin-1-yl]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-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide
• PubChem CID: 159288659
• Molecular Formula: C59H53BrN10O5S2
• Molecular Weight: 1126.18 g/mol
• Exact Mass: 1124.28
• IUPAC Name: 4-(2-bromoethoxy)-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide;4-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide
• SMILES: COCCN1CCN(CCOc2cc(C(=O)Nc3ccccc3-c3nc4cccnc4s3)nc(-c3ccccc3)c2)CC1.O=C(Nc1ccccc1-c1nc2cccnc2s1)c1cc(OCCBr)cc(-c2ccccc2)n1
• InChI: InChI=1S/C33H34N6O3S.C26H19BrN4O2S/c1-41-20-18-38-14-16-39(17-15-38)19-21-42-25-22-29(24-8-3-2-4-9-24)35-30(23-25)31(40)36-27-11-6-5-10-26(27)32-37-28-12-7-13-34-33(28)43-32;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/h2-13,22-23H,14-21H2,1H3,(H,36,40);1-11,13,15-16H,12,14H2,(H,30,32)
• InChIKey: KZVGJKIOSCMKQL-UHFFFAOYSA-N
• XLogP: 11.76
• TPSA: 169.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 18
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1126.18
LogP ≤ 5	11.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

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-[4-(2-methoxyethyl)piperazin-1-yl]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-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide (CID 159288659) is 4-(2-bromoethoxy)-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide;4-[2-[4-(2-methoxyethyl)piperazin-1-yl]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-[4-(2-methoxyethyl)piperazin-1-yl]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-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide is COCCN1CCN(CCOc2cc(C(=O)Nc3ccccc3-c3nc4cccnc4s3)nc(-c3ccccc3)c2)CC1.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-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide?

The InChIKey is KZVGJKIOSCMKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34N6O3S.C26H19BrN4O2S/c1-41-20-18-38-14-16-39(17-15-38)19-21-42-25-22-29(24-8-3-2-4-9-24)35-30(23-25)31(40)36-27-11-6-5-10-26(27)32-37-28-12-7-13-34-33(28)43-32;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/h2-13,22-23H,14-21H2,1H3,(H,36,40);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-[4-(2-methoxyethyl)piperazin-1-yl]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-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide has a molecular weight of 1126.18 g/mol, XLogP of 11.76, 18 rotatable bonds, 2 hydrogen bond donors, and 15 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-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 159288659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).