N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-N-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine;6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-N-methyl-N-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-amine;6-(7-fluoro-2-methylindazol-5-yl)-N-methyl-N-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-amine

C61H64F3N19S3 — CID 157081793

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-N-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine;6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-N-methyl-N-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-amine;6-(7-fluoro-2-methylindazol-5-yl)-N-methyl-N-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-amine
SMILESCN(c1nc2cnc(-c3cc(F)c4nn(C)cc4c3)cc2s1)C1CCNCC1.Cc1cn2cc(-c3cc4sc(N(C)C5CCNCC5)nc4cn3)cc(F)c2n1.Cc1cn2cc(-c3ncc4nc(N(C)C5CC6CCC(C5)N6)sc4n3)cc(F)c2n1
InChIInChI=1S/C21H22FN7S.2C20H21FN6S/c1-11-9-29-10-12(5-16(22)19(29)24-11)18-23-8-17-20(27-18)30-21(26-17)28(2)15-6-13-3-4-14(7-15)25-13;1-26-11-13-7-12(8-15(21)19(13)25-26)16-9-18-17(10-23-16)24-20(28-18)27(2)14-3-5-22-6-4-14;1-12-10-27-11-13(7-15(21)19(27)24-12)16-8-18-17(9-23-16)25-20(28-18)26(2)14-3-5-22-6-4-14/h5,8-10,13-15,25H,3-4,6-7H2,1-2H3;2*7-11,14,22H,3-6H2,1-2H3
InChIKeyADQAXFCFIXAYKB-UHFFFAOYSA-N
MW1216.51 g/mol
LogP10.78
Rot. Bonds9

About N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-N-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine;6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-N-methyl-N-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-amine;6-(7-fluoro-2-methylindazol-5-yl)-N-methyl-N-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-amine

N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-N-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine;6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-N-methyl-N-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-amine;6-(7-fluoro-2-methylindazol-5-yl)-N-methyl-N-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-amine (PubChem CID 157081793) has the molecular formula C61H64F3N19S3 and a molecular weight of 1216.51 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-N-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine;6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-N-methyl-N-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-amine;6-(7-fluoro-2-methylindazol-5-yl)-N-methyl-N-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-amine.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-N-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine;6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-N-methyl-N-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-amine;6-(7-fluoro-2-methylindazol-5-yl)-N-methyl-N-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-amine
PubChem CID157081793
Molecular FormulaC61H64F3N19S3
Molecular Weight1216.51 g/mol
Exact Mass1215.47
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-N-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine;6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-N-methyl-N-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-amine;6-(7-fluoro-2-methylindazol-5-yl)-N-methyl-N-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-amine
SMILESCN(c1nc2cnc(-c3cc(F)c4nn(C)cc4c3)cc2s1)C1CCNCC1.Cc1cn2cc(-c3cc4sc(N(C)C5CCNCC5)nc4cn3)cc(F)c2n1.Cc1cn2cc(-c3ncc4nc(N(C)C5CC6CCC(C5)N6)sc4n3)cc(F)c2n1
InChIInChI=1S/C21H22FN7S.2C20H21FN6S/c1-11-9-29-10-12(5-16(22)19(29)24-11)18-23-8-17-20(27-18)30-21(26-17)28(2)15-6-13-3-4-14(7-15)25-13;1-26-11-13-7-12(8-15(21)19(13)25-26)16-9-18-17(10-23-16)24-20(28-18)27(2)14-3-5-22-6-4-14;1-12-10-27-11-13(7-15(21)19(27)24-12)16-8-18-17(9-23-16)25-20(28-18)26(2)14-3-5-22-6-4-14/h5,8-10,13-15,25H,3-4,6-7H2,1-2H3;2*7-11,14,22H,3-6H2,1-2H3
InChIKeyADQAXFCFIXAYKB-UHFFFAOYSA-N
XLogP10.78
TPSA188.46 Ų
H-Bond Donors3
H-Bond Acceptors22
Rotatable Bonds9
Heavy Atoms86
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001216.51
LogP ≤ 510.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1022

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

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Related Compounds

2-[4-[2-[[3-[7-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-4-ethyl-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-5-yl]pyrazol-1-yl]methyl]-4-ethyl-5-(1-methylpyrazol-3-yl)-4H-[1,2,4]triazolo[4,3-f]pteridin-10-ium-7-yl]-1-methylpyrazol-3-yl]-1,3-thiazole
CID 123481644
5-[7-[2-[2-[5-[5-(dimethylamino)-3-pyridinyl]-1H-pyrazolo[5,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]-5-fluorothiophen-3-yl]-3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[5,4-b]pyridin-7-ium-5-yl]pyridin-3-amine
CID 137108100
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5-[3-[4-[5-fluoro-4-[3-[7-(5-fluorothiophen-2-yl)-3,9,11-triazatricyclo[6.3.0.02,4]undeca-1(8),4,6,9-tetraen-10-yl]-5-pyridin-3-yl-1H-indazol-7-yl]thiophen-2-yl]-1,8-dihydrocyclohepta[d]imidazol-2-yl]-1-methylindazol-5-yl]-N,N-dimethylpyridin-3-amine
CID 145036708
6-(7-fluoro-2-methylindazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine
CID 149811459
6-(7-fluoro-2-methylindazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[4,5-b]pyrazin-2-amine
CID 150126397
N-[(5R)-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)-N-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine
CID 150218169
6-(7-fluoro-2-methylindazol-5-yl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine
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6-(7-fluoro-2-methylindazol-5-yl)-N-methyl-N-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-amine
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5-(7-fluoro-2-methylindazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine
CID 151120214
N-(9-azabicyclo[3.3.1]nonan-3-yl)-6-(7-fluoro-2-methylindazol-5-yl)-N-methyl-[1,3]thiazolo[4,5-c]pyridin-2-amine
CID 152229578
N-(8-azabicyclo[3.2.1]octan-3-yl)-6-(7-fluoro-2-methylindazol-5-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine
CID 153383583

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-N-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine;6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-N-methyl-N-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-amine;6-(7-fluoro-2-methylindazol-5-yl)-N-methyl-N-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-amine?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-N-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine;6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-N-methyl-N-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-amine;6-(7-fluoro-2-methylindazol-5-yl)-N-methyl-N-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-amine (CID 157081793) is N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-N-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine;6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-N-methyl-N-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-amine;6-(7-fluoro-2-methylindazol-5-yl)-N-methyl-N-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-amine.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-N-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine;6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-N-methyl-N-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-amine;6-(7-fluoro-2-methylindazol-5-yl)-N-methyl-N-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-amine?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-N-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine;6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-N-methyl-N-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-amine;6-(7-fluoro-2-methylindazol-5-yl)-N-methyl-N-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-amine is CN(c1nc2cnc(-c3cc(F)c4nn(C)cc4c3)cc2s1)C1CCNCC1.Cc1cn2cc(-c3cc4sc(N(C)C5CCNCC5)nc4cn3)cc(F)c2n1.Cc1cn2cc(-c3ncc4nc(N(C)C5CC6CCC(C5)N6)sc4n3)cc(F)c2n1.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-N-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine;6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-N-methyl-N-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-amine;6-(7-fluoro-2-methylindazol-5-yl)-N-methyl-N-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-amine?
The InChIKey is ADQAXFCFIXAYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN7S.2C20H21FN6S/c1-11-9-29-10-12(5-16(22)19(29)24-11)18-23-8-17-20(27-18)30-21(26-17)28(2)15-6-13-3-4-14(7-15)25-13;1-26-11-13-7-12(8-15(21)19(13)25-26)16-9-18-17(10-23-16)24-20(28-18)27(2)14-3-5-22-6-4-14;1-12-10-27-11-13(7-15(21)19(27)24-12)16-8-18-17(9-23-16)25-20(28-18)26(2)14-3-5-22-6-4-14/h5,8-10,13-15,25H,3-4,6-7H2,1-2H3;2*7-11,14,22H,3-6H2,1-2H3.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-N-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine;6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-N-methyl-N-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-amine;6-(7-fluoro-2-methylindazol-5-yl)-N-methyl-N-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-amine?
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-N-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine;6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-N-methyl-N-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-amine;6-(7-fluoro-2-methylindazol-5-yl)-N-methyl-N-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-amine has a molecular weight of 1216.51 g/mol, XLogP of 10.78, 9 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-N-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine;6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-N-methyl-N-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-amine;6-(7-fluoro-2-methylindazol-5-yl)-N-methyl-N-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-amine is sourced from PubChem (CID 157081793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).