7-amino-N-[(2R)-6-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2S)-6-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;3-amino-N-[(2R)-8-fluoro-6-piperidin-1-yl-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-8-fluoro-6-piperidin-1-yl-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3R,4R)-4-methyl-7-piperidin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;N-[(2S)-6-(3-azabicyclo[3.2.1]octan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide;N-[(2R)-6-(3-azabicyclo[3.2.1]octan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide

C176H202F4N30O8S5 — CID 167598704

IUPAC7-amino-N-[(2R)-6-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2S)-6-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;3-amino-N-[(2R)-8-fluoro-6-piperidin-1-yl-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-8-fluoro-6-piperidin-1-yl-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3R,4R)-4-methyl-7-piperidin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;N-[(2S)-6-(3-azabicyclo[3.2.1]octan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide;N-[(2R)-6-(3-azabicyclo[3.2.1]octan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCCn1ccc2cc(C(=O)N[C@@H]3CCc4cc(N5CC6CCC(C6)C5)ccc4C3)cnc21.CCn1ccc2cc(C(=O)N[C@H]3CCc4cc(N5CC6CCC(C6)C5)ccc4C3)cnc21.Cc1ccc2c(N)c(C(=O)N[C@@H]3CCc4cc(N5CCCCC5)cc(F)c4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3CCc4cc(N5CCCCC5)cc(F)c4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5CCCCC5)ccc4[C@H]3C)sc2n1.Cc1cnc2c(N)c(C(=O)N[C@@H]3CCc4cc(N5CC6CCC(C6)C5)cc(F)c4C3)sc2n1.Cc1cnc2c(N)c(C(=O)N[C@H]3CCc4cc(N5CC6CCC(C6)C5)cc(F)c4C3)sc2n1
InChIInChI=1S/2C27H32N4O.2C25H28FN5OS.2C24H27FN4OS.C24H28N4O2S/c2*1-2-30-10-9-22-12-23(15-28-26(22)30)27(32)29-24-7-5-21-14-25(8-6-20(21)13-24)31-16-18-3-4-19(11-18)17-31;2*1-13-10-28-22-21(27)23(33-25(22)29-13)24(32)30-17-5-4-16-7-18(9-20(26)19(16)8-17)31-11-14-2-3-15(6-14)12-31;2*1-14-5-8-18-21(26)22(31-24(18)27-14)23(30)28-16-7-6-15-11-17(13-20(25)19(15)12-16)29-9-3-2-4-10-29;1-14-6-8-18-21(25)22(31-24(18)26-14)23(29)27-19-13-30-20-12-16(7-9-17(20)15(19)2)28-10-4-3-5-11-28/h2*6,8-10,12,14-15,18-19,24H,2-5,7,11,13,16-17H2,1H3,(H,29,32);2*7,9-10,14-15,17H,2-6,8,11-12,27H2,1H3,(H,30,32);2*5,8,11,13,16H,2-4,6-7,9-10,12,26H2,1H3,(H,28,30);6-9,12,15,19H,3-5,10-11,13,25H2,1-2H3,(H,27,29)/t2*18?,19?,24-;2*14?,15?,17-;2*16-;15-,19+/m1010101/s1
InChIKeyJKUVHQBWSCJHFV-SVAONTHTSA-N
MW3102.08 g/mol
LogP31.33
Rot. Bonds23

About 7-amino-N-[(2R)-6-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2S)-6-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;3-amino-N-[(2R)-8-fluoro-6-piperidin-1-yl-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-8-fluoro-6-piperidin-1-yl-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3R,4R)-4-methyl-7-piperidin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;N-[(2S)-6-(3-azabicyclo[3.2.1]octan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide;N-[(2R)-6-(3-azabicyclo[3.2.1]octan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide

7-amino-N-[(2R)-6-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2S)-6-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;3-amino-N-[(2R)-8-fluoro-6-piperidin-1-yl-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-8-fluoro-6-piperidin-1-yl-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3R,4R)-4-methyl-7-piperidin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;N-[(2S)-6-(3-azabicyclo[3.2.1]octan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide;N-[(2R)-6-(3-azabicyclo[3.2.1]octan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide (PubChem CID 167598704) has the molecular formula C176H202F4N30O8S5 and a molecular weight of 3102.08 g/mol. Its IUPAC name is 7-amino-N-[(2R)-6-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2S)-6-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;3-amino-N-[(2R)-8-fluoro-6-piperidin-1-yl-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-8-fluoro-6-piperidin-1-yl-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3R,4R)-4-methyl-7-piperidin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;N-[(2S)-6-(3-azabicyclo[3.2.1]octan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide;N-[(2R)-6-(3-azabicyclo[3.2.1]octan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name7-amino-N-[(2R)-6-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2S)-6-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;3-amino-N-[(2R)-8-fluoro-6-piperidin-1-yl-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-8-fluoro-6-piperidin-1-yl-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3R,4R)-4-methyl-7-piperidin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;N-[(2S)-6-(3-azabicyclo[3.2.1]octan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide;N-[(2R)-6-(3-azabicyclo[3.2.1]octan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide
PubChem CID167598704
Molecular FormulaC176H202F4N30O8S5
Molecular Weight3102.08 g/mol
Exact Mass3099.49
IUPAC Name7-amino-N-[(2R)-6-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2S)-6-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;3-amino-N-[(2R)-8-fluoro-6-piperidin-1-yl-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-8-fluoro-6-piperidin-1-yl-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3R,4R)-4-methyl-7-piperidin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;N-[(2S)-6-(3-azabicyclo[3.2.1]octan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide;N-[(2R)-6-(3-azabicyclo[3.2.1]octan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCCn1ccc2cc(C(=O)N[C@@H]3CCc4cc(N5CC6CCC(C6)C5)ccc4C3)cnc21.CCn1ccc2cc(C(=O)N[C@H]3CCc4cc(N5CC6CCC(C6)C5)ccc4C3)cnc21.Cc1ccc2c(N)c(C(=O)N[C@@H]3CCc4cc(N5CCCCC5)cc(F)c4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3CCc4cc(N5CCCCC5)cc(F)c4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5CCCCC5)ccc4[C@H]3C)sc2n1.Cc1cnc2c(N)c(C(=O)N[C@@H]3CCc4cc(N5CC6CCC(C6)C5)cc(F)c4C3)sc2n1.Cc1cnc2c(N)c(C(=O)N[C@H]3CCc4cc(N5CC6CCC(C6)C5)cc(F)c4C3)sc2n1
InChIInChI=1S/2C27H32N4O.2C25H28FN5OS.2C24H27FN4OS.C24H28N4O2S/c2*1-2-30-10-9-22-12-23(15-28-26(22)30)27(32)29-24-7-5-21-14-25(8-6-20(21)13-24)31-16-18-3-4-19(11-18)17-31;2*1-13-10-28-22-21(27)23(33-25(22)29-13)24(32)30-17-5-4-16-7-18(9-20(26)19(16)8-17)31-11-14-2-3-15(6-14)12-31;2*1-14-5-8-18-21(26)22(31-24(18)27-14)23(30)28-16-7-6-15-11-17(13-20(25)19(15)12-16)29-9-3-2-4-10-29;1-14-6-8-18-21(25)22(31-24(18)26-14)23(29)27-19-13-30-20-12-16(7-9-17(20)15(19)2)28-10-4-3-5-11-28/h2*6,8-10,12,14-15,18-19,24H,2-5,7,11,13,16-17H2,1H3,(H,29,32);2*7,9-10,14-15,17H,2-6,8,11-12,27H2,1H3,(H,30,32);2*5,8,11,13,16H,2-4,6-7,9-10,12,26H2,1H3,(H,28,30);6-9,12,15,19H,3-5,10-11,13,25H2,1-2H3,(H,27,29)/t2*18?,19?,24-;2*14?,15?,17-;2*16-;15-,19+/m1010101/s1
InChIKeyJKUVHQBWSCJHFV-SVAONTHTSA-N
XLogP31.33
TPSA491.58 Ų
H-Bond Donors12
H-Bond Acceptors36
Rotatable Bonds23
Heavy Atoms223
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003102.08
LogP ≤ 531.33
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 7-amino-N-[(2R)-6-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2S)-6-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;3-amino-N-[(2R)-8-fluoro-6-piperidin-1-yl-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-8-fluoro-6-piperidin-1-yl-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3R,4R)-4-methyl-7-piperidin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;N-[(2S)-6-(3-azabicyclo[3.2.1]octan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide;N-[(2R)-6-(3-azabicyclo[3.2.1]octan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[(2R)-6-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2S)-6-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;3-amino-N-[(2R)-8-fluoro-6-piperidin-1-yl-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-8-fluoro-6-piperidin-1-yl-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3R,4R)-4-methyl-7-piperidin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;N-[(2S)-6-(3-azabicyclo[3.2.1]octan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide;N-[(2R)-6-(3-azabicyclo[3.2.1]octan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide?
The IUPAC name of 7-amino-N-[(2R)-6-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2S)-6-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;3-amino-N-[(2R)-8-fluoro-6-piperidin-1-yl-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-8-fluoro-6-piperidin-1-yl-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3R,4R)-4-methyl-7-piperidin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;N-[(2S)-6-(3-azabicyclo[3.2.1]octan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide;N-[(2R)-6-(3-azabicyclo[3.2.1]octan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide (CID 167598704) is 7-amino-N-[(2R)-6-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2S)-6-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;3-amino-N-[(2R)-8-fluoro-6-piperidin-1-yl-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-8-fluoro-6-piperidin-1-yl-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3R,4R)-4-methyl-7-piperidin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;N-[(2S)-6-(3-azabicyclo[3.2.1]octan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide;N-[(2R)-6-(3-azabicyclo[3.2.1]octan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for 7-amino-N-[(2R)-6-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2S)-6-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;3-amino-N-[(2R)-8-fluoro-6-piperidin-1-yl-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-8-fluoro-6-piperidin-1-yl-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3R,4R)-4-methyl-7-piperidin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;N-[(2S)-6-(3-azabicyclo[3.2.1]octan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide;N-[(2R)-6-(3-azabicyclo[3.2.1]octan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for 7-amino-N-[(2R)-6-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2S)-6-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;3-amino-N-[(2R)-8-fluoro-6-piperidin-1-yl-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-8-fluoro-6-piperidin-1-yl-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3R,4R)-4-methyl-7-piperidin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;N-[(2S)-6-(3-azabicyclo[3.2.1]octan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide;N-[(2R)-6-(3-azabicyclo[3.2.1]octan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide is CCn1ccc2cc(C(=O)N[C@@H]3CCc4cc(N5CC6CCC(C6)C5)ccc4C3)cnc21.CCn1ccc2cc(C(=O)N[C@H]3CCc4cc(N5CC6CCC(C6)C5)ccc4C3)cnc21.Cc1ccc2c(N)c(C(=O)N[C@@H]3CCc4cc(N5CCCCC5)cc(F)c4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3CCc4cc(N5CCCCC5)cc(F)c4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5CCCCC5)ccc4[C@H]3C)sc2n1.Cc1cnc2c(N)c(C(=O)N[C@@H]3CCc4cc(N5CC6CCC(C6)C5)cc(F)c4C3)sc2n1.Cc1cnc2c(N)c(C(=O)N[C@H]3CCc4cc(N5CC6CCC(C6)C5)cc(F)c4C3)sc2n1.
What is the InChIKey of 7-amino-N-[(2R)-6-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2S)-6-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;3-amino-N-[(2R)-8-fluoro-6-piperidin-1-yl-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-8-fluoro-6-piperidin-1-yl-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3R,4R)-4-methyl-7-piperidin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;N-[(2S)-6-(3-azabicyclo[3.2.1]octan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide;N-[(2R)-6-(3-azabicyclo[3.2.1]octan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide?
The InChIKey is JKUVHQBWSCJHFV-SVAONTHTSA-N. The full InChI is InChI=1S/2C27H32N4O.2C25H28FN5OS.2C24H27FN4OS.C24H28N4O2S/c2*1-2-30-10-9-22-12-23(15-28-26(22)30)27(32)29-24-7-5-21-14-25(8-6-20(21)13-24)31-16-18-3-4-19(11-18)17-31;2*1-13-10-28-22-21(27)23(33-25(22)29-13)24(32)30-17-5-4-16-7-18(9-20(26)19(16)8-17)31-11-14-2-3-15(6-14)12-31;2*1-14-5-8-18-21(26)22(31-24(18)27-14)23(30)28-16-7-6-15-11-17(13-20(25)19(15)12-16)29-9-3-2-4-10-29;1-14-6-8-18-21(25)22(31-24(18)26-14)23(29)27-19-13-30-20-12-16(7-9-17(20)15(19)2)28-10-4-3-5-11-28/h2*6,8-10,12,14-15,18-19,24H,2-5,7,11,13,16-17H2,1H3,(H,29,32);2*7,9-10,14-15,17H,2-6,8,11-12,27H2,1H3,(H,30,32);2*5,8,11,13,16H,2-4,6-7,9-10,12,26H2,1H3,(H,28,30);6-9,12,15,19H,3-5,10-11,13,25H2,1-2H3,(H,27,29)/t2*18?,19?,24-;2*14?,15?,17-;2*16-;15-,19+/m1010101/s1.
What are the key properties of 7-amino-N-[(2R)-6-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2S)-6-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;3-amino-N-[(2R)-8-fluoro-6-piperidin-1-yl-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-8-fluoro-6-piperidin-1-yl-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3R,4R)-4-methyl-7-piperidin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;N-[(2S)-6-(3-azabicyclo[3.2.1]octan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide;N-[(2R)-6-(3-azabicyclo[3.2.1]octan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide?
7-amino-N-[(2R)-6-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2S)-6-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;3-amino-N-[(2R)-8-fluoro-6-piperidin-1-yl-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-8-fluoro-6-piperidin-1-yl-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3R,4R)-4-methyl-7-piperidin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;N-[(2S)-6-(3-azabicyclo[3.2.1]octan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide;N-[(2R)-6-(3-azabicyclo[3.2.1]octan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide has a molecular weight of 3102.08 g/mol, XLogP of 31.33, 23 rotatable bonds, 12 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[(2R)-6-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2S)-6-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;3-amino-N-[(2R)-8-fluoro-6-piperidin-1-yl-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-8-fluoro-6-piperidin-1-yl-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3R,4R)-4-methyl-7-piperidin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;N-[(2S)-6-(3-azabicyclo[3.2.1]octan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide;N-[(2R)-6-(3-azabicyclo[3.2.1]octan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 167598704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).