5-[2-(8-azabicyclo[3.2.1]octan-3-ylamino)-[1,3]thiazolo[4,5-c]pyridin-6-yl]-2-methylindazole-7-carbonitrile;N-(8-azabicyclo[3.2.1]octan-3-yl)-6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine;2-methyl-5-[2-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[4,5-c]pyridin-6-yl]indazole-7-carbonitrile

C64H63FN20S3 — CID 157234930

IUPAC5-[2-(8-azabicyclo[3.2.1]octan-3-ylamino)-[1,3]thiazolo[4,5-c]pyridin-6-yl]-2-methylindazole-7-carbonitrile;N-(8-azabicyclo[3.2.1]octan-3-yl)-6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine;2-methyl-5-[2-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[4,5-c]pyridin-6-yl]indazole-7-carbonitrile
SMILESCN(c1nc2cnc(-c3cc(C#N)c4nn(C)cc4c3)cc2s1)C1CCNCC1.Cc1cn2cc(-c3cc4sc(NC5CC6CCC(C5)N6)nc4cn3)cc(F)c2n1.Cn1cc2cc(-c3cc4sc(NC5CC6CCC(C5)N6)nc4cn3)cc(C#N)c2n1
InChIInChI=1S/C22H21N7S.C21H21FN6S.C21H21N7S/c1-29-11-14-5-12(4-13(9-23)21(14)28-29)18-8-20-19(10-24-18)27-22(30-20)26-17-6-15-2-3-16(7-17)25-15;1-11-9-28-10-12(4-16(22)20(28)24-11)17-7-19-18(8-23-17)27-21(29-19)26-15-5-13-2-3-14(6-15)25-13;1-27-12-15-8-13(7-14(10-22)20(15)26-27)17-9-19-18(11-24-17)25-21(29-19)28(2)16-3-5-23-6-4-16/h4-5,8,10-11,15-17,25H,2-3,6-7H2,1H3,(H,26,27);4,7-10,13-15,25H,2-3,5-6H2,1H3,(H,26,27);7-9,11-12,16,23H,3-6H2,1-2H3
InChIKeyAUNGGBJUUYXROC-UHFFFAOYSA-N
MW1227.55 g/mol
LogP11.26
Rot. Bonds9

About 5-[2-(8-azabicyclo[3.2.1]octan-3-ylamino)-[1,3]thiazolo[4,5-c]pyridin-6-yl]-2-methylindazole-7-carbonitrile;N-(8-azabicyclo[3.2.1]octan-3-yl)-6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine;2-methyl-5-[2-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[4,5-c]pyridin-6-yl]indazole-7-carbonitrile

5-[2-(8-azabicyclo[3.2.1]octan-3-ylamino)-[1,3]thiazolo[4,5-c]pyridin-6-yl]-2-methylindazole-7-carbonitrile;N-(8-azabicyclo[3.2.1]octan-3-yl)-6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine;2-methyl-5-[2-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[4,5-c]pyridin-6-yl]indazole-7-carbonitrile (PubChem CID 157234930) has the molecular formula C64H63FN20S3 and a molecular weight of 1227.55 g/mol. Its IUPAC name is 5-[2-(8-azabicyclo[3.2.1]octan-3-ylamino)-[1,3]thiazolo[4,5-c]pyridin-6-yl]-2-methylindazole-7-carbonitrile;N-(8-azabicyclo[3.2.1]octan-3-yl)-6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine;2-methyl-5-[2-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[4,5-c]pyridin-6-yl]indazole-7-carbonitrile.

Molecular Properties

Compound Name5-[2-(8-azabicyclo[3.2.1]octan-3-ylamino)-[1,3]thiazolo[4,5-c]pyridin-6-yl]-2-methylindazole-7-carbonitrile;N-(8-azabicyclo[3.2.1]octan-3-yl)-6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine;2-methyl-5-[2-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[4,5-c]pyridin-6-yl]indazole-7-carbonitrile
PubChem CID157234930
Molecular FormulaC64H63FN20S3
Molecular Weight1227.55 g/mol
Exact Mass1226.47
IUPAC Name5-[2-(8-azabicyclo[3.2.1]octan-3-ylamino)-[1,3]thiazolo[4,5-c]pyridin-6-yl]-2-methylindazole-7-carbonitrile;N-(8-azabicyclo[3.2.1]octan-3-yl)-6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine;2-methyl-5-[2-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[4,5-c]pyridin-6-yl]indazole-7-carbonitrile
SMILESCN(c1nc2cnc(-c3cc(C#N)c4nn(C)cc4c3)cc2s1)C1CCNCC1.Cc1cn2cc(-c3cc4sc(NC5CC6CCC(C5)N6)nc4cn3)cc(F)c2n1.Cn1cc2cc(-c3cc4sc(NC5CC6CCC(C5)N6)nc4cn3)cc(C#N)c2n1
InChIInChI=1S/C22H21N7S.C21H21FN6S.C21H21N7S/c1-29-11-14-5-12(4-13(9-23)21(14)28-29)18-8-20-19(10-24-18)27-22(30-20)26-17-6-15-2-3-16(7-17)25-15;1-11-9-28-10-12(4-16(22)20(28)24-11)17-7-19-18(8-23-17)27-21(29-19)26-15-5-13-2-3-14(6-15)25-13;1-27-12-15-8-13(7-14(10-22)20(15)26-27)17-9-19-18(11-24-17)25-21(29-19)28(2)16-3-5-23-6-4-16/h4-5,8,10-11,15-17,25H,2-3,6-7H2,1H3,(H,26,27);4,7-10,13-15,25H,2-3,5-6H2,1H3,(H,26,27);7-9,11-12,16,23H,3-6H2,1-2H3
InChIKeyAUNGGBJUUYXROC-UHFFFAOYSA-N
XLogP11.26
TPSA241.25 Ų
H-Bond Donors5
H-Bond Acceptors23
Rotatable Bonds9
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001227.55
LogP ≤ 511.26
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1023

Analyze 5-[2-(8-azabicyclo[3.2.1]octan-3-ylamino)-[1,3]thiazolo[4,5-c]pyridin-6-yl]-2-methylindazole-7-carbonitrile;N-(8-azabicyclo[3.2.1]octan-3-yl)-6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine;2-methyl-5-[2-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[4,5-c]pyridin-6-yl]indazole-7-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(8-azabicyclo[3.2.1]octan-3-ylamino)-[1,3]thiazolo[4,5-c]pyridin-6-yl]-2-methylindazole-7-carbonitrile;N-(8-azabicyclo[3.2.1]octan-3-yl)-6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine;2-methyl-5-[2-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[4,5-c]pyridin-6-yl]indazole-7-carbonitrile?
The IUPAC name of 5-[2-(8-azabicyclo[3.2.1]octan-3-ylamino)-[1,3]thiazolo[4,5-c]pyridin-6-yl]-2-methylindazole-7-carbonitrile;N-(8-azabicyclo[3.2.1]octan-3-yl)-6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine;2-methyl-5-[2-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[4,5-c]pyridin-6-yl]indazole-7-carbonitrile (CID 157234930) is 5-[2-(8-azabicyclo[3.2.1]octan-3-ylamino)-[1,3]thiazolo[4,5-c]pyridin-6-yl]-2-methylindazole-7-carbonitrile;N-(8-azabicyclo[3.2.1]octan-3-yl)-6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine;2-methyl-5-[2-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[4,5-c]pyridin-6-yl]indazole-7-carbonitrile.
What is the SMILES notation for 5-[2-(8-azabicyclo[3.2.1]octan-3-ylamino)-[1,3]thiazolo[4,5-c]pyridin-6-yl]-2-methylindazole-7-carbonitrile;N-(8-azabicyclo[3.2.1]octan-3-yl)-6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine;2-methyl-5-[2-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[4,5-c]pyridin-6-yl]indazole-7-carbonitrile?
The canonical SMILES for 5-[2-(8-azabicyclo[3.2.1]octan-3-ylamino)-[1,3]thiazolo[4,5-c]pyridin-6-yl]-2-methylindazole-7-carbonitrile;N-(8-azabicyclo[3.2.1]octan-3-yl)-6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine;2-methyl-5-[2-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[4,5-c]pyridin-6-yl]indazole-7-carbonitrile is CN(c1nc2cnc(-c3cc(C#N)c4nn(C)cc4c3)cc2s1)C1CCNCC1.Cc1cn2cc(-c3cc4sc(NC5CC6CCC(C5)N6)nc4cn3)cc(F)c2n1.Cn1cc2cc(-c3cc4sc(NC5CC6CCC(C5)N6)nc4cn3)cc(C#N)c2n1.
What is the InChIKey of 5-[2-(8-azabicyclo[3.2.1]octan-3-ylamino)-[1,3]thiazolo[4,5-c]pyridin-6-yl]-2-methylindazole-7-carbonitrile;N-(8-azabicyclo[3.2.1]octan-3-yl)-6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine;2-methyl-5-[2-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[4,5-c]pyridin-6-yl]indazole-7-carbonitrile?
The InChIKey is AUNGGBJUUYXROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7S.C21H21FN6S.C21H21N7S/c1-29-11-14-5-12(4-13(9-23)21(14)28-29)18-8-20-19(10-24-18)27-22(30-20)26-17-6-15-2-3-16(7-17)25-15;1-11-9-28-10-12(4-16(22)20(28)24-11)17-7-19-18(8-23-17)27-21(29-19)26-15-5-13-2-3-14(6-15)25-13;1-27-12-15-8-13(7-14(10-22)20(15)26-27)17-9-19-18(11-24-17)25-21(29-19)28(2)16-3-5-23-6-4-16/h4-5,8,10-11,15-17,25H,2-3,6-7H2,1H3,(H,26,27);4,7-10,13-15,25H,2-3,5-6H2,1H3,(H,26,27);7-9,11-12,16,23H,3-6H2,1-2H3.
What are the key properties of 5-[2-(8-azabicyclo[3.2.1]octan-3-ylamino)-[1,3]thiazolo[4,5-c]pyridin-6-yl]-2-methylindazole-7-carbonitrile;N-(8-azabicyclo[3.2.1]octan-3-yl)-6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine;2-methyl-5-[2-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[4,5-c]pyridin-6-yl]indazole-7-carbonitrile?
5-[2-(8-azabicyclo[3.2.1]octan-3-ylamino)-[1,3]thiazolo[4,5-c]pyridin-6-yl]-2-methylindazole-7-carbonitrile;N-(8-azabicyclo[3.2.1]octan-3-yl)-6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine;2-methyl-5-[2-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[4,5-c]pyridin-6-yl]indazole-7-carbonitrile has a molecular weight of 1227.55 g/mol, XLogP of 11.26, 9 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(8-azabicyclo[3.2.1]octan-3-ylamino)-[1,3]thiazolo[4,5-c]pyridin-6-yl]-2-methylindazole-7-carbonitrile;N-(8-azabicyclo[3.2.1]octan-3-yl)-6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine;2-methyl-5-[2-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[4,5-c]pyridin-6-yl]indazole-7-carbonitrile is sourced from PubChem (CID 157234930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).