3-butan-2-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-cyclopenta-1,4-dien-1-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzothiazol-6-amine;3-ethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-ethyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)thieno[3,2-b]pyridin-6-amine;3-phenyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzothiazol-6-amine;3-phenyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzothiazol-6-amine;2-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzothiazol-3-yl]propan-2-ol

C130H105N43OS8 — CID 157259013

IUPAC3-butan-2-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-cyclopenta-1,4-dien-1-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzothiazol-6-amine;3-ethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-ethyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)thieno[3,2-b]pyridin-6-amine;3-phenyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzothiazol-6-amine;3-phenyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzothiazol-6-amine;2-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzothiazol-3-yl]propan-2-ol
SMILESC1=CC(c2nsc3cc(Nc4n[nH]c5cccnc45)ccc23)=CC1.CC(C)(O)c1nsc2cc(Nc3n[nH]c4cccnc34)ccc12.CCC(C)c1nsc2cc(Nc3n[nH]c4cccnc34)cnc12.CCc1nsc2cc(Nc3[nH]nc4ncccc34)cnc12.CCc1nsc2cc(Nc3n[nH]c4cccnc34)cnc12.Cc1csc2cc(Nc3n[nH]c4cccnc34)cnc12.c1ccc(-c2nsc3cc(Nc4[nH]nc5ncccc45)ccc23)cc1.c1ccc(-c2nsc3cc(Nc4n[nH]c5cccnc45)ccc23)cc1
InChIInChI=1S/2C19H13N5S.C18H13N5S.C16H16N6S.C16H15N5OS.2C14H12N6S.C14H11N5S/c1-2-5-12(6-3-1)17-14-9-8-13(11-16(14)25-24-17)21-19-18-15(22-23-19)7-4-10-20-18;1-2-5-12(6-3-1)17-14-9-8-13(11-16(14)25-24-17)21-19-15-7-4-10-20-18(15)22-23-19;1-2-5-11(4-1)16-13-8-7-12(10-15(13)24-23-16)20-18-17-14(21-22-18)6-3-9-19-17;1-3-9(2)13-15-12(23-22-13)7-10(8-18-15)19-16-14-11(20-21-16)5-4-6-17-14;1-16(2,22)14-10-6-5-9(8-12(10)23-21-14)18-15-13-11(19-20-15)4-3-7-17-13;1-2-10-12-11(21-20-10)6-8(7-16-12)17-14-9-4-3-5-15-13(9)18-19-14;1-2-9-12-11(21-20-9)6-8(7-16-12)17-14-13-10(18-19-14)4-3-5-15-13;1-8-7-20-11-5-9(6-16-12(8)11)17-14-13-10(18-19-14)3-2-4-15-13/h1-11H,(H2,21,22,23);1-11H,(H2,20,21,22,23);1,3-10H,2H2,(H2,20,21,22);4-9H,3H2,1-2H3,(H2,19,20,21);3-8,22H,1-2H3,(H2,18,19,20);3-7H,2H2,1H3,(H2,15,17,18,19);3-7H,2H2,1H3,(H2,17,18,19);2-7H,1H3,(H2,17,18,19)
InChIKeyAXFUNNSRJMIIJU-UHFFFAOYSA-N
MW2542.11 g/mol
LogP32.53
Rot. Bonds24

About 3-butan-2-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-cyclopenta-1,4-dien-1-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzothiazol-6-amine;3-ethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-ethyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)thieno[3,2-b]pyridin-6-amine;3-phenyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzothiazol-6-amine;3-phenyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzothiazol-6-amine;2-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzothiazol-3-yl]propan-2-ol

3-butan-2-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-cyclopenta-1,4-dien-1-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzothiazol-6-amine;3-ethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-ethyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)thieno[3,2-b]pyridin-6-amine;3-phenyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzothiazol-6-amine;3-phenyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzothiazol-6-amine;2-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzothiazol-3-yl]propan-2-ol (PubChem CID 157259013) has the molecular formula C130H105N43OS8 and a molecular weight of 2542.11 g/mol. Its IUPAC name is 3-butan-2-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-cyclopenta-1,4-dien-1-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzothiazol-6-amine;3-ethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-ethyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)thieno[3,2-b]pyridin-6-amine;3-phenyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzothiazol-6-amine;3-phenyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzothiazol-6-amine;2-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzothiazol-3-yl]propan-2-ol.

Molecular Properties

Compound Name3-butan-2-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-cyclopenta-1,4-dien-1-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzothiazol-6-amine;3-ethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-ethyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)thieno[3,2-b]pyridin-6-amine;3-phenyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzothiazol-6-amine;3-phenyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzothiazol-6-amine;2-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzothiazol-3-yl]propan-2-ol
PubChem CID157259013
Molecular FormulaC130H105N43OS8
Molecular Weight2542.11 g/mol
Exact Mass2539.73
IUPAC Name3-butan-2-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-cyclopenta-1,4-dien-1-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzothiazol-6-amine;3-ethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-ethyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)thieno[3,2-b]pyridin-6-amine;3-phenyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzothiazol-6-amine;3-phenyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzothiazol-6-amine;2-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzothiazol-3-yl]propan-2-ol
SMILESC1=CC(c2nsc3cc(Nc4n[nH]c5cccnc45)ccc23)=CC1.CC(C)(O)c1nsc2cc(Nc3n[nH]c4cccnc34)ccc12.CCC(C)c1nsc2cc(Nc3n[nH]c4cccnc34)cnc12.CCc1nsc2cc(Nc3[nH]nc4ncccc34)cnc12.CCc1nsc2cc(Nc3n[nH]c4cccnc34)cnc12.Cc1csc2cc(Nc3n[nH]c4cccnc34)cnc12.c1ccc(-c2nsc3cc(Nc4[nH]nc5ncccc45)ccc23)cc1.c1ccc(-c2nsc3cc(Nc4n[nH]c5cccnc45)ccc23)cc1
InChIInChI=1S/2C19H13N5S.C18H13N5S.C16H16N6S.C16H15N5OS.2C14H12N6S.C14H11N5S/c1-2-5-12(6-3-1)17-14-9-8-13(11-16(14)25-24-17)21-19-18-15(22-23-19)7-4-10-20-18;1-2-5-12(6-3-1)17-14-9-8-13(11-16(14)25-24-17)21-19-15-7-4-10-20-18(15)22-23-19;1-2-5-11(4-1)16-13-8-7-12(10-15(13)24-23-16)20-18-17-14(21-22-18)6-3-9-19-17;1-3-9(2)13-15-12(23-22-13)7-10(8-18-15)19-16-14-11(20-21-16)5-4-6-17-14;1-16(2,22)14-10-6-5-9(8-12(10)23-21-14)18-15-13-11(19-20-15)4-3-7-17-13;1-2-10-12-11(21-20-10)6-8(7-16-12)17-14-9-4-3-5-15-13(9)18-19-14;1-2-9-12-11(21-20-9)6-8(7-16-12)17-14-13-10(18-19-14)4-3-5-15-13;1-8-7-20-11-5-9(6-16-12(8)11)17-14-13-10(18-19-14)3-2-4-15-13/h1-11H,(H2,21,22,23);1-11H,(H2,20,21,22,23);1,3-10H,2H2,(H2,20,21,22);4-9H,3H2,1-2H3,(H2,19,20,21);3-8,22H,1-2H3,(H2,18,19,20);3-7H,2H2,1H3,(H2,15,17,18,19);3-7H,2H2,1H3,(H2,17,18,19);2-7H,1H3,(H2,17,18,19)
InChIKeyAXFUNNSRJMIIJU-UHFFFAOYSA-N
XLogP32.53
TPSA590.82 Ų
H-Bond Donors17
H-Bond Acceptors44
Rotatable Bonds24
Heavy Atoms182
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002542.11
LogP ≤ 532.53
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1044

Analyze 3-butan-2-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-cyclopenta-1,4-dien-1-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzothiazol-6-amine;3-ethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-ethyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)thieno[3,2-b]pyridin-6-amine;3-phenyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzothiazol-6-amine;3-phenyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzothiazol-6-amine;2-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzothiazol-3-yl]propan-2-ol with MolForge

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Related Compounds

5-ethyl-2-[4-(1-methylpyrazol-4-yl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-12-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;4-(methylsulfonylmethyl)-12-[4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(3-methyltriazol-4-yl)-12-[4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;12-[4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-amine;[5-[12-[4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]-2H-triazol-4-yl]methanol;12-[4-(piperidin-1-ylmethyl)phenyl]-4-(1,2,4-triazol-4-yl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 157480887
3-(1,3-dimethylindazol-5-yl)-2,6-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]imidazo[1,2-b]pyridazin-8-amine;N-[4-[[[8-(1,3-dimethylindazol-5-yl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]phenyl]methanesulfonamide;[5-[[[8-(1,3-dimethylindazol-5-yl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]-2-pyridinyl]methanol;3-(1,3-dimethylindazol-5-yl)-2,6-dimethyl-N-(pyridin-4-ylmethyl)imidazo[1,2-b]pyridazin-8-amine;8-(1,3-dimethylindazol-5-yl)-2,7-dimethyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 158145525
5-ethyl-2-[4-(1-methylpyrazol-4-yl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-12-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;4-(methylsulfonylmethyl)-12-[4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(3-methyl-3H-1,2,4-triazol-4-ium-4-yl)-12-[4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;12-[4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-amine;[5-[12-[4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]-2H-triazol-4-yl]methanol;12-[4-(piperidin-1-ylmethyl)phenyl]-4-(1,2,4-triazol-4-yl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 158808613
3-cyclopenta-1,4-dien-1-yl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzothiazol-6-amine;3-ethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-[[(3-fluoro-3-methylcyclobutyl)-methylamino]methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-[(4-methylpiperidin-1-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-methyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)thieno[3,2-b]pyridin-6-amine;3-(piperidin-1-ylmethyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine
CID 159454664
4-[[3-(1-benzothiophen-3-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;[5-[6-(3,4-dimethylanilino)imidazo[1,2-b]pyridazin-3-yl]thiophen-2-yl]methanol;4-[[3-(1H-indol-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;4-[[3-(5-methyl-1H-indol-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;4-[[3-(6-methyl-1H-indol-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;4-[[3-(7-methyl-1H-indol-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol
CID 161160996
N-(1-benzothiophen-5-yl)-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine;3-methyl-N-(2-methyl-3H-benzimidazol-5-yl)-2H-pyrazolo[4,3-c]pyridin-4-amine;[2-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]phenyl]methanol;3-methyl-4-[[3-(2H-tetrazol-5-yl)phenyl]methyl]-2H-pyrazolo[4,3-c]pyridine
CID 161410392

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-cyclopenta-1,4-dien-1-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzothiazol-6-amine;3-ethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-ethyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)thieno[3,2-b]pyridin-6-amine;3-phenyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzothiazol-6-amine;3-phenyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzothiazol-6-amine;2-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzothiazol-3-yl]propan-2-ol?
The IUPAC name of 3-butan-2-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-cyclopenta-1,4-dien-1-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzothiazol-6-amine;3-ethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-ethyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)thieno[3,2-b]pyridin-6-amine;3-phenyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzothiazol-6-amine;3-phenyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzothiazol-6-amine;2-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzothiazol-3-yl]propan-2-ol (CID 157259013) is 3-butan-2-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-cyclopenta-1,4-dien-1-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzothiazol-6-amine;3-ethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-ethyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)thieno[3,2-b]pyridin-6-amine;3-phenyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzothiazol-6-amine;3-phenyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzothiazol-6-amine;2-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzothiazol-3-yl]propan-2-ol.
What is the SMILES notation for 3-butan-2-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-cyclopenta-1,4-dien-1-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzothiazol-6-amine;3-ethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-ethyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)thieno[3,2-b]pyridin-6-amine;3-phenyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzothiazol-6-amine;3-phenyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzothiazol-6-amine;2-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzothiazol-3-yl]propan-2-ol?
The canonical SMILES for 3-butan-2-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-cyclopenta-1,4-dien-1-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzothiazol-6-amine;3-ethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-ethyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)thieno[3,2-b]pyridin-6-amine;3-phenyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzothiazol-6-amine;3-phenyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzothiazol-6-amine;2-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzothiazol-3-yl]propan-2-ol is C1=CC(c2nsc3cc(Nc4n[nH]c5cccnc45)ccc23)=CC1.CC(C)(O)c1nsc2cc(Nc3n[nH]c4cccnc34)ccc12.CCC(C)c1nsc2cc(Nc3n[nH]c4cccnc34)cnc12.CCc1nsc2cc(Nc3[nH]nc4ncccc34)cnc12.CCc1nsc2cc(Nc3n[nH]c4cccnc34)cnc12.Cc1csc2cc(Nc3n[nH]c4cccnc34)cnc12.c1ccc(-c2nsc3cc(Nc4[nH]nc5ncccc45)ccc23)cc1.c1ccc(-c2nsc3cc(Nc4n[nH]c5cccnc45)ccc23)cc1.
What is the InChIKey of 3-butan-2-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-cyclopenta-1,4-dien-1-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzothiazol-6-amine;3-ethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-ethyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)thieno[3,2-b]pyridin-6-amine;3-phenyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzothiazol-6-amine;3-phenyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzothiazol-6-amine;2-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzothiazol-3-yl]propan-2-ol?
The InChIKey is AXFUNNSRJMIIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H13N5S.C18H13N5S.C16H16N6S.C16H15N5OS.2C14H12N6S.C14H11N5S/c1-2-5-12(6-3-1)17-14-9-8-13(11-16(14)25-24-17)21-19-18-15(22-23-19)7-4-10-20-18;1-2-5-12(6-3-1)17-14-9-8-13(11-16(14)25-24-17)21-19-15-7-4-10-20-18(15)22-23-19;1-2-5-11(4-1)16-13-8-7-12(10-15(13)24-23-16)20-18-17-14(21-22-18)6-3-9-19-17;1-3-9(2)13-15-12(23-22-13)7-10(8-18-15)19-16-14-11(20-21-16)5-4-6-17-14;1-16(2,22)14-10-6-5-9(8-12(10)23-21-14)18-15-13-11(19-20-15)4-3-7-17-13;1-2-10-12-11(21-20-10)6-8(7-16-12)17-14-9-4-3-5-15-13(9)18-19-14;1-2-9-12-11(21-20-9)6-8(7-16-12)17-14-13-10(18-19-14)4-3-5-15-13;1-8-7-20-11-5-9(6-16-12(8)11)17-14-13-10(18-19-14)3-2-4-15-13/h1-11H,(H2,21,22,23);1-11H,(H2,20,21,22,23);1,3-10H,2H2,(H2,20,21,22);4-9H,3H2,1-2H3,(H2,19,20,21);3-8,22H,1-2H3,(H2,18,19,20);3-7H,2H2,1H3,(H2,15,17,18,19);3-7H,2H2,1H3,(H2,17,18,19);2-7H,1H3,(H2,17,18,19).
What are the key properties of 3-butan-2-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-cyclopenta-1,4-dien-1-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzothiazol-6-amine;3-ethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-ethyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)thieno[3,2-b]pyridin-6-amine;3-phenyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzothiazol-6-amine;3-phenyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzothiazol-6-amine;2-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzothiazol-3-yl]propan-2-ol?
3-butan-2-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-cyclopenta-1,4-dien-1-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzothiazol-6-amine;3-ethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-ethyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)thieno[3,2-b]pyridin-6-amine;3-phenyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzothiazol-6-amine;3-phenyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzothiazol-6-amine;2-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzothiazol-3-yl]propan-2-ol has a molecular weight of 2542.11 g/mol, XLogP of 32.53, 24 rotatable bonds, 17 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-cyclopenta-1,4-dien-1-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzothiazol-6-amine;3-ethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-ethyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)thieno[3,2-b]pyridin-6-amine;3-phenyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzothiazol-6-amine;3-phenyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzothiazol-6-amine;2-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzothiazol-3-yl]propan-2-ol is sourced from PubChem (CID 157259013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).