4-[2-(5-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylaniline;4-[2-(7-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylaniline;5-[2-(5-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine;5-[2-(7-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine;6-[2-(5-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-3-amine;4-[2-(5-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylaniline;4-[2-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylaniline;5-[2-(5-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine;5-[2-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine;6-[2-(5-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-3-amine;6-[2-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-3-amine

C158H103F11N40O5S6 — CID 159144625

IUPAC4-[2-(5-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylaniline;4-[2-(7-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylaniline;5-[2-(5-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine;5-[2-(7-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine;6-[2-(5-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-3-amine;4-[2-(5-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylaniline;4-[2-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylaniline;5-[2-(5-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine;5-[2-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine;6-[2-(5-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-3-amine;6-[2-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-3-amine
SMILESCNc1ccc(C#Cc2nc3nc(F)ccc3o2)cc1.CNc1ccc(C#Cc2nc3nc(F)ccc3o2)cn1.CNc1ccc(C#Cc2nc3nc(F)ccc3o2)nc1.CNc1ccc(C#Cc2nc3nc(F)ccc3s2)cc1.CNc1ccc(C#Cc2nc3nc(F)ccc3s2)cn1.CNc1ccc(C#Cc2nc3nc(F)ccc3s2)nc1.CNc1ccc(C#Cc2nc3nccc(F)c3o2)cc1.CNc1ccc(C#Cc2nc3nccc(F)c3o2)cn1.CNc1ccc(C#Cc2nc3nccc(F)c3s2)cc1.CNc1ccc(C#Cc2nc3nccc(F)c3s2)cn1.CNc1ccc(C#Cc2nc3nccc(F)c3s2)nc1
InChIInChI=1S/2C15H10FN3O.2C15H10FN3S.3C14H9FN4O.4C14H9FN4S/c1-17-11-5-2-10(3-6-11)4-9-14-19-15-12(20-14)7-8-13(16)18-15;1-17-11-5-2-10(3-6-11)4-7-13-19-15-14(20-13)12(16)8-9-18-15;1-17-11-5-2-10(3-6-11)4-9-14-19-15-12(20-14)7-8-13(16)18-15;1-17-11-5-2-10(3-6-11)4-7-13-19-15-14(20-13)12(16)8-9-18-15;1-16-12-6-2-9(8-17-12)3-7-13-19-14-10(20-13)4-5-11(15)18-14;1-16-11-4-2-9(8-18-11)3-5-12-19-14-13(20-12)10(15)6-7-17-14;1-16-10-3-2-9(17-8-10)4-7-13-19-14-11(20-13)5-6-12(15)18-14;1-16-12-6-2-9(8-17-12)3-7-13-19-14-10(20-13)4-5-11(15)18-14;1-16-11-4-2-9(8-18-11)3-5-12-19-14-13(20-12)10(15)6-7-17-14;1-16-10-3-2-9(17-8-10)4-7-13-19-14-11(20-13)5-6-12(15)18-14;1-16-10-3-2-9(18-8-10)4-5-12-19-14-13(20-12)11(15)6-7-17-14/h2-3,5-8,17H,1H3;2-3,5-6,8-9,17H,1H3;2-3,5-8,17H,1H3;2-3,5-6,8-9,17H,1H3;2,4-6,8H,1H3,(H,16,17);2,4,6-8H,1H3,(H,16,18);2-3,5-6,8,16H,1H3;2,4-6,8H,1H3,(H,16,17);2,4,6-8H,1H3,(H,16,18);2-3,5-6,8,16H,1H3;2-3,6-8,16H,1H3
InChIKeyKINHBXBZLDETLV-UHFFFAOYSA-N
MW3043.22 g/mol
LogP29.41
Rot. Bonds11

About 4-[2-(5-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylaniline;4-[2-(7-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylaniline;5-[2-(5-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine;5-[2-(7-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine;6-[2-(5-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-3-amine;4-[2-(5-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylaniline;4-[2-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylaniline;5-[2-(5-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine;5-[2-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine;6-[2-(5-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-3-amine;6-[2-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-3-amine

4-[2-(5-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylaniline;4-[2-(7-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylaniline;5-[2-(5-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine;5-[2-(7-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine;6-[2-(5-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-3-amine;4-[2-(5-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylaniline;4-[2-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylaniline;5-[2-(5-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine;5-[2-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine;6-[2-(5-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-3-amine;6-[2-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-3-amine (PubChem CID 159144625) has the molecular formula C158H103F11N40O5S6 and a molecular weight of 3043.22 g/mol. Its IUPAC name is 4-[2-(5-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylaniline;4-[2-(7-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylaniline;5-[2-(5-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine;5-[2-(7-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine;6-[2-(5-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-3-amine;4-[2-(5-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylaniline;4-[2-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylaniline;5-[2-(5-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine;5-[2-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine;6-[2-(5-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-3-amine;6-[2-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-3-amine.

Molecular Properties

Compound Name4-[2-(5-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylaniline;4-[2-(7-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylaniline;5-[2-(5-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine;5-[2-(7-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine;6-[2-(5-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-3-amine;4-[2-(5-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylaniline;4-[2-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylaniline;5-[2-(5-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine;5-[2-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine;6-[2-(5-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-3-amine;6-[2-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-3-amine
PubChem CID159144625
Molecular FormulaC158H103F11N40O5S6
Molecular Weight3043.22 g/mol
Exact Mass3040.72
IUPAC Name4-[2-(5-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylaniline;4-[2-(7-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylaniline;5-[2-(5-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine;5-[2-(7-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine;6-[2-(5-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-3-amine;4-[2-(5-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylaniline;4-[2-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylaniline;5-[2-(5-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine;5-[2-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine;6-[2-(5-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-3-amine;6-[2-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-3-amine
SMILESCNc1ccc(C#Cc2nc3nc(F)ccc3o2)cc1.CNc1ccc(C#Cc2nc3nc(F)ccc3o2)cn1.CNc1ccc(C#Cc2nc3nc(F)ccc3o2)nc1.CNc1ccc(C#Cc2nc3nc(F)ccc3s2)cc1.CNc1ccc(C#Cc2nc3nc(F)ccc3s2)cn1.CNc1ccc(C#Cc2nc3nc(F)ccc3s2)nc1.CNc1ccc(C#Cc2nc3nccc(F)c3o2)cc1.CNc1ccc(C#Cc2nc3nccc(F)c3o2)cn1.CNc1ccc(C#Cc2nc3nccc(F)c3s2)cc1.CNc1ccc(C#Cc2nc3nccc(F)c3s2)cn1.CNc1ccc(C#Cc2nc3nccc(F)c3s2)nc1
InChIInChI=1S/2C15H10FN3O.2C15H10FN3S.3C14H9FN4O.4C14H9FN4S/c1-17-11-5-2-10(3-6-11)4-9-14-19-15-12(20-14)7-8-13(16)18-15;1-17-11-5-2-10(3-6-11)4-7-13-19-15-14(20-13)12(16)8-9-18-15;1-17-11-5-2-10(3-6-11)4-9-14-19-15-12(20-14)7-8-13(16)18-15;1-17-11-5-2-10(3-6-11)4-7-13-19-15-14(20-13)12(16)8-9-18-15;1-16-12-6-2-9(8-17-12)3-7-13-19-14-10(20-13)4-5-11(15)18-14;1-16-11-4-2-9(8-18-11)3-5-12-19-14-13(20-12)10(15)6-7-17-14;1-16-10-3-2-9(17-8-10)4-7-13-19-14-11(20-13)5-6-12(15)18-14;1-16-12-6-2-9(8-17-12)3-7-13-19-14-10(20-13)4-5-11(15)18-14;1-16-11-4-2-9(8-18-11)3-5-12-19-14-13(20-12)10(15)6-7-17-14;1-16-10-3-2-9(17-8-10)4-7-13-19-14-11(20-13)5-6-12(15)18-14;1-16-10-3-2-9(18-8-10)4-5-12-19-14-13(20-12)11(15)6-7-17-14/h2-3,5-8,17H,1H3;2-3,5-6,8-9,17H,1H3;2-3,5-8,17H,1H3;2-3,5-6,8-9,17H,1H3;2,4-6,8H,1H3,(H,16,17);2,4,6-8H,1H3,(H,16,18);2-3,5-6,8,16H,1H3;2,4-6,8H,1H3,(H,16,17);2,4,6-8H,1H3,(H,16,18);2-3,5-6,8,16H,1H3;2-3,6-8,16H,1H3
InChIKeyKINHBXBZLDETLV-UHFFFAOYSA-N
XLogP29.41
TPSA571.84 Ų
H-Bond Donors11
H-Bond Acceptors51
Rotatable Bonds11
Heavy Atoms220
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003043.22
LogP ≤ 529.41
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1051

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 4-[2-(5-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylaniline;4-[2-(7-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylaniline;5-[2-(5-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine;5-[2-(7-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine;6-[2-(5-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-3-amine;4-[2-(5-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylaniline;4-[2-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylaniline;5-[2-(5-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine;5-[2-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine;6-[2-(5-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-3-amine;6-[2-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-3-amine with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylaniline;4-[2-(7-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylaniline;5-[2-(5-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine;5-[2-(7-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine;6-[2-(5-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-3-amine;4-[2-(5-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylaniline;4-[2-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylaniline;5-[2-(5-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine;5-[2-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine;6-[2-(5-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-3-amine;6-[2-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-3-amine?
The IUPAC name of 4-[2-(5-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylaniline;4-[2-(7-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylaniline;5-[2-(5-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine;5-[2-(7-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine;6-[2-(5-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-3-amine;4-[2-(5-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylaniline;4-[2-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylaniline;5-[2-(5-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine;5-[2-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine;6-[2-(5-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-3-amine;6-[2-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-3-amine (CID 159144625) is 4-[2-(5-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylaniline;4-[2-(7-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylaniline;5-[2-(5-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine;5-[2-(7-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine;6-[2-(5-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-3-amine;4-[2-(5-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylaniline;4-[2-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylaniline;5-[2-(5-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine;5-[2-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine;6-[2-(5-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-3-amine;6-[2-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-3-amine.
What is the SMILES notation for 4-[2-(5-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylaniline;4-[2-(7-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylaniline;5-[2-(5-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine;5-[2-(7-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine;6-[2-(5-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-3-amine;4-[2-(5-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylaniline;4-[2-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylaniline;5-[2-(5-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine;5-[2-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine;6-[2-(5-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-3-amine;6-[2-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-3-amine?
The canonical SMILES for 4-[2-(5-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylaniline;4-[2-(7-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylaniline;5-[2-(5-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine;5-[2-(7-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine;6-[2-(5-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-3-amine;4-[2-(5-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylaniline;4-[2-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylaniline;5-[2-(5-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine;5-[2-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine;6-[2-(5-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-3-amine;6-[2-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-3-amine is CNc1ccc(C#Cc2nc3nc(F)ccc3o2)cc1.CNc1ccc(C#Cc2nc3nc(F)ccc3o2)cn1.CNc1ccc(C#Cc2nc3nc(F)ccc3o2)nc1.CNc1ccc(C#Cc2nc3nc(F)ccc3s2)cc1.CNc1ccc(C#Cc2nc3nc(F)ccc3s2)cn1.CNc1ccc(C#Cc2nc3nc(F)ccc3s2)nc1.CNc1ccc(C#Cc2nc3nccc(F)c3o2)cc1.CNc1ccc(C#Cc2nc3nccc(F)c3o2)cn1.CNc1ccc(C#Cc2nc3nccc(F)c3s2)cc1.CNc1ccc(C#Cc2nc3nccc(F)c3s2)cn1.CNc1ccc(C#Cc2nc3nccc(F)c3s2)nc1.
What is the InChIKey of 4-[2-(5-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylaniline;4-[2-(7-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylaniline;5-[2-(5-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine;5-[2-(7-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine;6-[2-(5-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-3-amine;4-[2-(5-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylaniline;4-[2-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylaniline;5-[2-(5-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine;5-[2-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine;6-[2-(5-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-3-amine;6-[2-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-3-amine?
The InChIKey is KINHBXBZLDETLV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H10FN3O.2C15H10FN3S.3C14H9FN4O.4C14H9FN4S/c1-17-11-5-2-10(3-6-11)4-9-14-19-15-12(20-14)7-8-13(16)18-15;1-17-11-5-2-10(3-6-11)4-7-13-19-15-14(20-13)12(16)8-9-18-15;1-17-11-5-2-10(3-6-11)4-9-14-19-15-12(20-14)7-8-13(16)18-15;1-17-11-5-2-10(3-6-11)4-7-13-19-15-14(20-13)12(16)8-9-18-15;1-16-12-6-2-9(8-17-12)3-7-13-19-14-10(20-13)4-5-11(15)18-14;1-16-11-4-2-9(8-18-11)3-5-12-19-14-13(20-12)10(15)6-7-17-14;1-16-10-3-2-9(17-8-10)4-7-13-19-14-11(20-13)5-6-12(15)18-14;1-16-12-6-2-9(8-17-12)3-7-13-19-14-10(20-13)4-5-11(15)18-14;1-16-11-4-2-9(8-18-11)3-5-12-19-14-13(20-12)10(15)6-7-17-14;1-16-10-3-2-9(17-8-10)4-7-13-19-14-11(20-13)5-6-12(15)18-14;1-16-10-3-2-9(18-8-10)4-5-12-19-14-13(20-12)11(15)6-7-17-14/h2-3,5-8,17H,1H3;2-3,5-6,8-9,17H,1H3;2-3,5-8,17H,1H3;2-3,5-6,8-9,17H,1H3;2,4-6,8H,1H3,(H,16,17);2,4,6-8H,1H3,(H,16,18);2-3,5-6,8,16H,1H3;2,4-6,8H,1H3,(H,16,17);2,4,6-8H,1H3,(H,16,18);2-3,5-6,8,16H,1H3;2-3,6-8,16H,1H3.
What are the key properties of 4-[2-(5-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylaniline;4-[2-(7-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylaniline;5-[2-(5-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine;5-[2-(7-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine;6-[2-(5-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-3-amine;4-[2-(5-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylaniline;4-[2-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylaniline;5-[2-(5-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine;5-[2-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine;6-[2-(5-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-3-amine;6-[2-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-3-amine?
4-[2-(5-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylaniline;4-[2-(7-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylaniline;5-[2-(5-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine;5-[2-(7-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine;6-[2-(5-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-3-amine;4-[2-(5-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylaniline;4-[2-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylaniline;5-[2-(5-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine;5-[2-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine;6-[2-(5-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-3-amine;6-[2-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-3-amine has a molecular weight of 3043.22 g/mol, XLogP of 29.41, 11 rotatable bonds, 11 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylaniline;4-[2-(7-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylaniline;5-[2-(5-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine;5-[2-(7-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine;6-[2-(5-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-3-amine;4-[2-(5-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylaniline;4-[2-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylaniline;5-[2-(5-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine;5-[2-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine;6-[2-(5-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-3-amine;6-[2-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-3-amine is sourced from PubChem (CID 159144625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).