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

C172H115F9N44O6S6 — CID 162013017

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;6-[2-(7-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-3-amine;4-[2-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylaniline;5-[2-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine;6-[2-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-3-amine;N-methyl-4-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)ethynyl]aniline;N-methyl-5-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)ethynyl]pyridin-2-amine;N-methyl-6-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)ethynyl]pyridin-3-amine
SMILESCNc1ccc(C#Cc2nc3cccnc3s2)cc1.CNc1ccc(C#Cc2nc3cccnc3s2)cn1.CNc1ccc(C#Cc2nc3cccnc3s2)nc1.CNc1ccc(C#Cc2nc3nc(F)ccc3o2)cc1.CNc1ccc(C#Cc2nc3nc(F)ccc3o2)cn1.CNc1ccc(C#Cc2nc3nc(F)ccc3o2)nc1.CNc1ccc(C#Cc2nc3nccc(F)c3o2)cc1.CNc1ccc(C#Cc2nc3nccc(F)c3o2)cn1.CNc1ccc(C#Cc2nc3nccc(F)c3o2)nc1.CNc1ccc(C#Cc2nc3nccc(F)c3s2)cc1.CNc1ccc(C#Cc2nc3nccc(F)c3s2)cn1.CNc1ccc(C#Cc2nc3nccc(F)c3s2)nc1
InChIInChI=1S/2C15H10FN3O.C15H10FN3S.C15H11N3S.4C14H9FN4O.2C14H9FN4S.2C14H10N4S/c1-17-11-5-2-10(3-6-11)4-9-14-19-15-12(20-14)7-8-13(16)18-15;2*1-17-11-5-2-10(3-6-11)4-7-13-19-15-14(20-13)12(16)8-9-18-15;1-16-12-7-4-11(5-8-12)6-9-14-18-13-3-2-10-17-15(13)19-14;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;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(18-8-10)4-5-12-19-14-13(20-12)11(15)6-7-17-14;1-15-12-6-4-10(9-17-12)5-7-13-18-11-3-2-8-16-14(11)19-13;1-15-11-5-4-10(17-9-11)6-7-13-18-12-3-2-8-16-14(12)19-13/h2-3,5-8,17H,1H3;2*2-3,5-6,8-9,17H,1H3;2-5,7-8,10,16H,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;2,4,6-8H,1H3,(H,16,18);2-3,6-8,16H,1H3;2-4,6,8-9H,1H3,(H,15,17);2-5,8-9,15H,1H3
InChIKeyYTSNCDXRZSJARK-UHFFFAOYSA-N
MW3257.50 g/mol
LogP31.19
Rot. Bonds12

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;6-[2-(7-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-3-amine;4-[2-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylaniline;5-[2-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine;6-[2-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-3-amine;N-methyl-4-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)ethynyl]aniline;N-methyl-5-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)ethynyl]pyridin-2-amine;N-methyl-6-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)ethynyl]pyridin-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;6-[2-(7-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-3-amine;4-[2-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylaniline;5-[2-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine;6-[2-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-3-amine;N-methyl-4-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)ethynyl]aniline;N-methyl-5-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)ethynyl]pyridin-2-amine;N-methyl-6-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)ethynyl]pyridin-3-amine (PubChem CID 162013017) has the molecular formula C172H115F9N44O6S6 and a molecular weight of 3257.50 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;6-[2-(7-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-3-amine;4-[2-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylaniline;5-[2-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine;6-[2-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-3-amine;N-methyl-4-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)ethynyl]aniline;N-methyl-5-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)ethynyl]pyridin-2-amine;N-methyl-6-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)ethynyl]pyridin-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;6-[2-(7-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-3-amine;4-[2-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylaniline;5-[2-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine;6-[2-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-3-amine;N-methyl-4-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)ethynyl]aniline;N-methyl-5-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)ethynyl]pyridin-2-amine;N-methyl-6-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)ethynyl]pyridin-3-amine
PubChem CID162013017
Molecular FormulaC172H115F9N44O6S6
Molecular Weight3257.50 g/mol
Exact Mass3254.82
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;6-[2-(7-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-3-amine;4-[2-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylaniline;5-[2-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine;6-[2-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-3-amine;N-methyl-4-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)ethynyl]aniline;N-methyl-5-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)ethynyl]pyridin-2-amine;N-methyl-6-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)ethynyl]pyridin-3-amine
SMILESCNc1ccc(C#Cc2nc3cccnc3s2)cc1.CNc1ccc(C#Cc2nc3cccnc3s2)cn1.CNc1ccc(C#Cc2nc3cccnc3s2)nc1.CNc1ccc(C#Cc2nc3nc(F)ccc3o2)cc1.CNc1ccc(C#Cc2nc3nc(F)ccc3o2)cn1.CNc1ccc(C#Cc2nc3nc(F)ccc3o2)nc1.CNc1ccc(C#Cc2nc3nccc(F)c3o2)cc1.CNc1ccc(C#Cc2nc3nccc(F)c3o2)cn1.CNc1ccc(C#Cc2nc3nccc(F)c3o2)nc1.CNc1ccc(C#Cc2nc3nccc(F)c3s2)cc1.CNc1ccc(C#Cc2nc3nccc(F)c3s2)cn1.CNc1ccc(C#Cc2nc3nccc(F)c3s2)nc1
InChIInChI=1S/2C15H10FN3O.C15H10FN3S.C15H11N3S.4C14H9FN4O.2C14H9FN4S.2C14H10N4S/c1-17-11-5-2-10(3-6-11)4-9-14-19-15-12(20-14)7-8-13(16)18-15;2*1-17-11-5-2-10(3-6-11)4-7-13-19-15-14(20-13)12(16)8-9-18-15;1-16-12-7-4-11(5-8-12)6-9-14-18-13-3-2-10-17-15(13)19-14;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;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(18-8-10)4-5-12-19-14-13(20-12)11(15)6-7-17-14;1-15-12-6-4-10(9-17-12)5-7-13-18-11-3-2-8-16-14(11)19-13;1-15-11-5-4-10(17-9-11)6-7-13-18-12-3-2-8-16-14(12)19-13/h2-3,5-8,17H,1H3;2*2-3,5-6,8-9,17H,1H3;2-5,7-8,10,16H,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;2,4,6-8H,1H3,(H,16,18);2-3,6-8,16H,1H3;2-4,6,8-9H,1H3,(H,15,17);2-5,8-9,15H,1H3
InChIKeyYTSNCDXRZSJARK-UHFFFAOYSA-N
XLogP31.19
TPSA635.68 Ų
H-Bond Donors12
H-Bond Acceptors56
Rotatable Bonds12
Heavy Atoms237
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003257.50
LogP ≤ 531.19
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1056

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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;6-[2-(7-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-3-amine;4-[2-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylaniline;5-[2-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine;6-[2-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-3-amine;N-methyl-4-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)ethynyl]aniline;N-methyl-5-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)ethynyl]pyridin-2-amine;N-methyl-6-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)ethynyl]pyridin-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;6-[2-(7-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-3-amine;4-[2-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylaniline;5-[2-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine;6-[2-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-3-amine;N-methyl-4-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)ethynyl]aniline;N-methyl-5-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)ethynyl]pyridin-2-amine;N-methyl-6-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)ethynyl]pyridin-3-amine (CID 162013017) 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;6-[2-(7-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-3-amine;4-[2-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylaniline;5-[2-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine;6-[2-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-3-amine;N-methyl-4-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)ethynyl]aniline;N-methyl-5-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)ethynyl]pyridin-2-amine;N-methyl-6-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)ethynyl]pyridin-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;6-[2-(7-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-3-amine;4-[2-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylaniline;5-[2-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine;6-[2-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-3-amine;N-methyl-4-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)ethynyl]aniline;N-methyl-5-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)ethynyl]pyridin-2-amine;N-methyl-6-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)ethynyl]pyridin-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;6-[2-(7-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-3-amine;4-[2-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylaniline;5-[2-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine;6-[2-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-3-amine;N-methyl-4-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)ethynyl]aniline;N-methyl-5-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)ethynyl]pyridin-2-amine;N-methyl-6-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)ethynyl]pyridin-3-amine is CNc1ccc(C#Cc2nc3cccnc3s2)cc1.CNc1ccc(C#Cc2nc3cccnc3s2)cn1.CNc1ccc(C#Cc2nc3cccnc3s2)nc1.CNc1ccc(C#Cc2nc3nc(F)ccc3o2)cc1.CNc1ccc(C#Cc2nc3nc(F)ccc3o2)cn1.CNc1ccc(C#Cc2nc3nc(F)ccc3o2)nc1.CNc1ccc(C#Cc2nc3nccc(F)c3o2)cc1.CNc1ccc(C#Cc2nc3nccc(F)c3o2)cn1.CNc1ccc(C#Cc2nc3nccc(F)c3o2)nc1.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;6-[2-(7-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-3-amine;4-[2-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylaniline;5-[2-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine;6-[2-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-3-amine;N-methyl-4-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)ethynyl]aniline;N-methyl-5-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)ethynyl]pyridin-2-amine;N-methyl-6-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)ethynyl]pyridin-3-amine?
The InChIKey is YTSNCDXRZSJARK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H10FN3O.C15H10FN3S.C15H11N3S.4C14H9FN4O.2C14H9FN4S.2C14H10N4S/c1-17-11-5-2-10(3-6-11)4-9-14-19-15-12(20-14)7-8-13(16)18-15;2*1-17-11-5-2-10(3-6-11)4-7-13-19-15-14(20-13)12(16)8-9-18-15;1-16-12-7-4-11(5-8-12)6-9-14-18-13-3-2-10-17-15(13)19-14;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;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(18-8-10)4-5-12-19-14-13(20-12)11(15)6-7-17-14;1-15-12-6-4-10(9-17-12)5-7-13-18-11-3-2-8-16-14(11)19-13;1-15-11-5-4-10(17-9-11)6-7-13-18-12-3-2-8-16-14(12)19-13/h2-3,5-8,17H,1H3;2*2-3,5-6,8-9,17H,1H3;2-5,7-8,10,16H,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;2,4,6-8H,1H3,(H,16,18);2-3,6-8,16H,1H3;2-4,6,8-9H,1H3,(H,15,17);2-5,8-9,15H,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;6-[2-(7-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-3-amine;4-[2-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylaniline;5-[2-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine;6-[2-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-3-amine;N-methyl-4-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)ethynyl]aniline;N-methyl-5-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)ethynyl]pyridin-2-amine;N-methyl-6-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)ethynyl]pyridin-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;6-[2-(7-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-3-amine;4-[2-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylaniline;5-[2-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine;6-[2-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-3-amine;N-methyl-4-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)ethynyl]aniline;N-methyl-5-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)ethynyl]pyridin-2-amine;N-methyl-6-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)ethynyl]pyridin-3-amine has a molecular weight of 3257.50 g/mol, XLogP of 31.19, 12 rotatable bonds, 12 hydrogen bond donors, and 56 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;6-[2-(7-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-3-amine;4-[2-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylaniline;5-[2-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine;6-[2-(7-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-3-amine;N-methyl-4-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)ethynyl]aniline;N-methyl-5-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)ethynyl]pyridin-2-amine;N-methyl-6-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)ethynyl]pyridin-3-amine is sourced from PubChem (CID 162013017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).