8-amino-N-butyl-N-methyl-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;8-amino-N-methyl-2-(5-methylthiophen-2-yl)-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;8-amino-N-methyl-2-(5-methylthiophen-2-yl)-N-propyl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;[8-amino-2-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(3-methylpiperidin-1-yl)methanone;[8-amino-2-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-thiomorpholin-4-ylmethanone;[8-amino-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(3-methylpiperidin-1-yl)methanone;[8-amino-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(2-methylpyrrolidin-1-yl)methanone;[8-amino-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone

C131H144N44O8S9 — CID 157097527

IUPAC8-amino-N-butyl-N-methyl-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;8-amino-N-methyl-2-(5-methylthiophen-2-yl)-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;8-amino-N-methyl-2-(5-methylthiophen-2-yl)-N-propyl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;[8-amino-2-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(3-methylpiperidin-1-yl)methanone;[8-amino-2-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-thiomorpholin-4-ylmethanone;[8-amino-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(3-methylpiperidin-1-yl)methanone;[8-amino-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(2-methylpyrrolidin-1-yl)methanone;[8-amino-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone
SMILESCC1CCCN(C(=O)c2cc(N)c3nc(-c4nccs4)nn3c2)C1.CC1CCCN1C(=O)c1cc(N)c2nc(-c3nccs3)nn2c1.CCCCN(C)C(=O)c1cc(N)c2nc(-c3nccs3)nn2c1.CCCN(C)C(=O)c1cc(N)c2nc(-c3ccc(C)s3)nn2c1.Cc1ccc(-c2nc3c(N)cc(C(=O)N(C)CCc4ccccc4)cn3n2)s1.Cc1ccc(-c2nc3c(N)cc(C(=O)N4CCCC(C)C4)cn3n2)s1.Cc1ccc(-c2nc3c(N)cc(C(=O)N4CCSCC4)cn3n2)s1.Nc1cc(C(=O)N2CCCC2)cn2nc(-c3nccs3)nc12
InChIInChI=1S/C21H21N5OS.C18H21N5OS.C16H18N6OS.C16H17N5OS2.C16H19N5OS.C15H16N6OS.C15H18N6OS.C14H14N6OS/c1-14-8-9-18(28-14)19-23-20-17(22)12-16(13-26(20)24-19)21(27)25(2)11-10-15-6-4-3-5-7-15;1-11-4-3-7-22(9-11)18(24)13-8-14(19)17-20-16(21-23(17)10-13)15-6-5-12(2)25-15;1-10-3-2-5-21(8-10)16(23)11-7-12(17)14-19-13(20-22(14)9-11)15-18-4-6-24-15;1-10-2-3-13(24-10)14-18-15-12(17)8-11(9-21(15)19-14)16(22)20-4-6-23-7-5-20;1-4-7-20(3)16(22)11-8-12(17)15-18-14(19-21(15)9-11)13-6-5-10(2)23-13;1-9-3-2-5-20(9)15(22)10-7-11(16)13-18-12(19-21(13)8-10)14-17-4-6-23-14;1-3-4-6-20(2)15(22)10-8-11(16)13-18-12(19-21(13)9-10)14-17-5-7-23-14;15-10-7-9(14(21)19-4-1-2-5-19)8-20-12(10)17-11(18-20)13-16-3-6-22-13/h3-9,12-13H,10-11,22H2,1-2H3;5-6,8,10-11H,3-4,7,9,19H2,1-2H3;4,6-7,9-10H,2-3,5,8,17H2,1H3;2-3,8-9H,4-7,17H2,1H3;5-6,8-9H,4,7,17H2,1-3H3;4,6-9H,2-3,5,16H2,1H3;5,7-9H,3-4,6,16H2,1-2H3;3,6-8H,1-2,4-5,15H2
InChIKeyAFJOQYGEXAOLHN-UHFFFAOYSA-N
MW2751.50 g/mol
LogP20.60
Rot. Bonds24

About 8-amino-N-butyl-N-methyl-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;8-amino-N-methyl-2-(5-methylthiophen-2-yl)-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;8-amino-N-methyl-2-(5-methylthiophen-2-yl)-N-propyl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;[8-amino-2-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(3-methylpiperidin-1-yl)methanone;[8-amino-2-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-thiomorpholin-4-ylmethanone;[8-amino-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(3-methylpiperidin-1-yl)methanone;[8-amino-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(2-methylpyrrolidin-1-yl)methanone;[8-amino-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone

8-amino-N-butyl-N-methyl-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;8-amino-N-methyl-2-(5-methylthiophen-2-yl)-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;8-amino-N-methyl-2-(5-methylthiophen-2-yl)-N-propyl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;[8-amino-2-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(3-methylpiperidin-1-yl)methanone;[8-amino-2-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-thiomorpholin-4-ylmethanone;[8-amino-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(3-methylpiperidin-1-yl)methanone;[8-amino-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(2-methylpyrrolidin-1-yl)methanone;[8-amino-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone (PubChem CID 157097527) has the molecular formula C131H144N44O8S9 and a molecular weight of 2751.50 g/mol. Its IUPAC name is 8-amino-N-butyl-N-methyl-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;8-amino-N-methyl-2-(5-methylthiophen-2-yl)-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;8-amino-N-methyl-2-(5-methylthiophen-2-yl)-N-propyl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;[8-amino-2-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(3-methylpiperidin-1-yl)methanone;[8-amino-2-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-thiomorpholin-4-ylmethanone;[8-amino-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(3-methylpiperidin-1-yl)methanone;[8-amino-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(2-methylpyrrolidin-1-yl)methanone;[8-amino-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name8-amino-N-butyl-N-methyl-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;8-amino-N-methyl-2-(5-methylthiophen-2-yl)-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;8-amino-N-methyl-2-(5-methylthiophen-2-yl)-N-propyl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;[8-amino-2-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(3-methylpiperidin-1-yl)methanone;[8-amino-2-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-thiomorpholin-4-ylmethanone;[8-amino-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(3-methylpiperidin-1-yl)methanone;[8-amino-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(2-methylpyrrolidin-1-yl)methanone;[8-amino-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone
PubChem CID157097527
Molecular FormulaC131H144N44O8S9
Molecular Weight2751.50 g/mol
Exact Mass2748.97
IUPAC Name8-amino-N-butyl-N-methyl-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;8-amino-N-methyl-2-(5-methylthiophen-2-yl)-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;8-amino-N-methyl-2-(5-methylthiophen-2-yl)-N-propyl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;[8-amino-2-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(3-methylpiperidin-1-yl)methanone;[8-amino-2-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-thiomorpholin-4-ylmethanone;[8-amino-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(3-methylpiperidin-1-yl)methanone;[8-amino-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(2-methylpyrrolidin-1-yl)methanone;[8-amino-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone
SMILESCC1CCCN(C(=O)c2cc(N)c3nc(-c4nccs4)nn3c2)C1.CC1CCCN1C(=O)c1cc(N)c2nc(-c3nccs3)nn2c1.CCCCN(C)C(=O)c1cc(N)c2nc(-c3nccs3)nn2c1.CCCN(C)C(=O)c1cc(N)c2nc(-c3ccc(C)s3)nn2c1.Cc1ccc(-c2nc3c(N)cc(C(=O)N(C)CCc4ccccc4)cn3n2)s1.Cc1ccc(-c2nc3c(N)cc(C(=O)N4CCCC(C)C4)cn3n2)s1.Cc1ccc(-c2nc3c(N)cc(C(=O)N4CCSCC4)cn3n2)s1.Nc1cc(C(=O)N2CCCC2)cn2nc(-c3nccs3)nc12
InChIInChI=1S/C21H21N5OS.C18H21N5OS.C16H18N6OS.C16H17N5OS2.C16H19N5OS.C15H16N6OS.C15H18N6OS.C14H14N6OS/c1-14-8-9-18(28-14)19-23-20-17(22)12-16(13-26(20)24-19)21(27)25(2)11-10-15-6-4-3-5-7-15;1-11-4-3-7-22(9-11)18(24)13-8-14(19)17-20-16(21-23(17)10-13)15-6-5-12(2)25-15;1-10-3-2-5-21(8-10)16(23)11-7-12(17)14-19-13(20-22(14)9-11)15-18-4-6-24-15;1-10-2-3-13(24-10)14-18-15-12(17)8-11(9-21(15)19-14)16(22)20-4-6-23-7-5-20;1-4-7-20(3)16(22)11-8-12(17)15-18-14(19-21(15)9-11)13-6-5-10(2)23-13;1-9-3-2-5-20(9)15(22)10-7-11(16)13-18-12(19-21(13)8-10)14-17-4-6-23-14;1-3-4-6-20(2)15(22)10-8-11(16)13-18-12(19-21(13)9-10)14-17-5-7-23-14;15-10-7-9(14(21)19-4-1-2-5-19)8-20-12(10)17-11(18-20)13-16-3-6-22-13/h3-9,12-13H,10-11,22H2,1-2H3;5-6,8,10-11H,3-4,7,9,19H2,1-2H3;4,6-7,9-10H,2-3,5,8,17H2,1H3;2-3,8-9H,4-7,17H2,1H3;5-6,8-9H,4,7,17H2,1-3H3;4,6-9H,2-3,5,16H2,1H3;5,7-9H,3-4,6,16H2,1-2H3;3,6-8H,1-2,4-5,15H2
InChIKeyAFJOQYGEXAOLHN-UHFFFAOYSA-N
XLogP20.60
TPSA663.72 Ų
H-Bond Donors8
H-Bond Acceptors53
Rotatable Bonds24
Heavy Atoms192
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002751.50
LogP ≤ 520.60
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1053

Analyze 8-amino-N-butyl-N-methyl-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;8-amino-N-methyl-2-(5-methylthiophen-2-yl)-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;8-amino-N-methyl-2-(5-methylthiophen-2-yl)-N-propyl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;[8-amino-2-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(3-methylpiperidin-1-yl)methanone;[8-amino-2-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-thiomorpholin-4-ylmethanone;[8-amino-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(3-methylpiperidin-1-yl)methanone;[8-amino-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(2-methylpyrrolidin-1-yl)methanone;[8-amino-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-amino-N-butyl-N-methyl-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;8-amino-N-methyl-2-(5-methylthiophen-2-yl)-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;8-amino-N-methyl-2-(5-methylthiophen-2-yl)-N-propyl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;[8-amino-2-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(3-methylpiperidin-1-yl)methanone;[8-amino-2-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-thiomorpholin-4-ylmethanone;[8-amino-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(3-methylpiperidin-1-yl)methanone;[8-amino-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(2-methylpyrrolidin-1-yl)methanone;[8-amino-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of 8-amino-N-butyl-N-methyl-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;8-amino-N-methyl-2-(5-methylthiophen-2-yl)-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;8-amino-N-methyl-2-(5-methylthiophen-2-yl)-N-propyl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;[8-amino-2-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(3-methylpiperidin-1-yl)methanone;[8-amino-2-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-thiomorpholin-4-ylmethanone;[8-amino-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(3-methylpiperidin-1-yl)methanone;[8-amino-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(2-methylpyrrolidin-1-yl)methanone;[8-amino-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone (CID 157097527) is 8-amino-N-butyl-N-methyl-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;8-amino-N-methyl-2-(5-methylthiophen-2-yl)-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;8-amino-N-methyl-2-(5-methylthiophen-2-yl)-N-propyl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;[8-amino-2-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(3-methylpiperidin-1-yl)methanone;[8-amino-2-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-thiomorpholin-4-ylmethanone;[8-amino-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(3-methylpiperidin-1-yl)methanone;[8-amino-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(2-methylpyrrolidin-1-yl)methanone;[8-amino-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for 8-amino-N-butyl-N-methyl-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;8-amino-N-methyl-2-(5-methylthiophen-2-yl)-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;8-amino-N-methyl-2-(5-methylthiophen-2-yl)-N-propyl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;[8-amino-2-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(3-methylpiperidin-1-yl)methanone;[8-amino-2-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-thiomorpholin-4-ylmethanone;[8-amino-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(3-methylpiperidin-1-yl)methanone;[8-amino-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(2-methylpyrrolidin-1-yl)methanone;[8-amino-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for 8-amino-N-butyl-N-methyl-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;8-amino-N-methyl-2-(5-methylthiophen-2-yl)-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;8-amino-N-methyl-2-(5-methylthiophen-2-yl)-N-propyl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;[8-amino-2-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(3-methylpiperidin-1-yl)methanone;[8-amino-2-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-thiomorpholin-4-ylmethanone;[8-amino-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(3-methylpiperidin-1-yl)methanone;[8-amino-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(2-methylpyrrolidin-1-yl)methanone;[8-amino-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone is CC1CCCN(C(=O)c2cc(N)c3nc(-c4nccs4)nn3c2)C1.CC1CCCN1C(=O)c1cc(N)c2nc(-c3nccs3)nn2c1.CCCCN(C)C(=O)c1cc(N)c2nc(-c3nccs3)nn2c1.CCCN(C)C(=O)c1cc(N)c2nc(-c3ccc(C)s3)nn2c1.Cc1ccc(-c2nc3c(N)cc(C(=O)N(C)CCc4ccccc4)cn3n2)s1.Cc1ccc(-c2nc3c(N)cc(C(=O)N4CCCC(C)C4)cn3n2)s1.Cc1ccc(-c2nc3c(N)cc(C(=O)N4CCSCC4)cn3n2)s1.Nc1cc(C(=O)N2CCCC2)cn2nc(-c3nccs3)nc12.
What is the InChIKey of 8-amino-N-butyl-N-methyl-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;8-amino-N-methyl-2-(5-methylthiophen-2-yl)-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;8-amino-N-methyl-2-(5-methylthiophen-2-yl)-N-propyl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;[8-amino-2-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(3-methylpiperidin-1-yl)methanone;[8-amino-2-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-thiomorpholin-4-ylmethanone;[8-amino-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(3-methylpiperidin-1-yl)methanone;[8-amino-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(2-methylpyrrolidin-1-yl)methanone;[8-amino-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is AFJOQYGEXAOLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5OS.C18H21N5OS.C16H18N6OS.C16H17N5OS2.C16H19N5OS.C15H16N6OS.C15H18N6OS.C14H14N6OS/c1-14-8-9-18(28-14)19-23-20-17(22)12-16(13-26(20)24-19)21(27)25(2)11-10-15-6-4-3-5-7-15;1-11-4-3-7-22(9-11)18(24)13-8-14(19)17-20-16(21-23(17)10-13)15-6-5-12(2)25-15;1-10-3-2-5-21(8-10)16(23)11-7-12(17)14-19-13(20-22(14)9-11)15-18-4-6-24-15;1-10-2-3-13(24-10)14-18-15-12(17)8-11(9-21(15)19-14)16(22)20-4-6-23-7-5-20;1-4-7-20(3)16(22)11-8-12(17)15-18-14(19-21(15)9-11)13-6-5-10(2)23-13;1-9-3-2-5-20(9)15(22)10-7-11(16)13-18-12(19-21(13)8-10)14-17-4-6-23-14;1-3-4-6-20(2)15(22)10-8-11(16)13-18-12(19-21(13)9-10)14-17-5-7-23-14;15-10-7-9(14(21)19-4-1-2-5-19)8-20-12(10)17-11(18-20)13-16-3-6-22-13/h3-9,12-13H,10-11,22H2,1-2H3;5-6,8,10-11H,3-4,7,9,19H2,1-2H3;4,6-7,9-10H,2-3,5,8,17H2,1H3;2-3,8-9H,4-7,17H2,1H3;5-6,8-9H,4,7,17H2,1-3H3;4,6-9H,2-3,5,16H2,1H3;5,7-9H,3-4,6,16H2,1-2H3;3,6-8H,1-2,4-5,15H2.
What are the key properties of 8-amino-N-butyl-N-methyl-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;8-amino-N-methyl-2-(5-methylthiophen-2-yl)-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;8-amino-N-methyl-2-(5-methylthiophen-2-yl)-N-propyl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;[8-amino-2-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(3-methylpiperidin-1-yl)methanone;[8-amino-2-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-thiomorpholin-4-ylmethanone;[8-amino-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(3-methylpiperidin-1-yl)methanone;[8-amino-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(2-methylpyrrolidin-1-yl)methanone;[8-amino-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone?
8-amino-N-butyl-N-methyl-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;8-amino-N-methyl-2-(5-methylthiophen-2-yl)-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;8-amino-N-methyl-2-(5-methylthiophen-2-yl)-N-propyl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;[8-amino-2-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(3-methylpiperidin-1-yl)methanone;[8-amino-2-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-thiomorpholin-4-ylmethanone;[8-amino-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(3-methylpiperidin-1-yl)methanone;[8-amino-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(2-methylpyrrolidin-1-yl)methanone;[8-amino-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 2751.50 g/mol, XLogP of 20.60, 24 rotatable bonds, 8 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-N-butyl-N-methyl-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;8-amino-N-methyl-2-(5-methylthiophen-2-yl)-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;8-amino-N-methyl-2-(5-methylthiophen-2-yl)-N-propyl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;[8-amino-2-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(3-methylpiperidin-1-yl)methanone;[8-amino-2-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-thiomorpholin-4-ylmethanone;[8-amino-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(3-methylpiperidin-1-yl)methanone;[8-amino-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(2-methylpyrrolidin-1-yl)methanone;[8-amino-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 157097527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).