7-amino-N-[(2R)-2-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2S)-2-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-3-methylthieno[2,3-b]pyrazine-6-carboxylic acid;tert-butyl 3-[4-[1-[(7-amino-3-methylthieno[2,3-b]pyrazine-6-carbonyl)amino]propan-2-yl]-2-fluorophenyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[4-[(2R)-1-[(7-amino-3-methylthieno[2,3-b]pyrazine-6-carbonyl)amino]propan-2-yl]-2-fluorophenyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[4-[(2S)-1-[(7-amino-3-methylthieno[2,3-b]pyrazine-6-carbonyl)amino]propan-2-yl]-2-fluorophenyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[4-(1-aminopropan-2-yl)-2-fluorophenyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate

C158H196F6N36O15S6 — CID 158235026

IUPAC7-amino-N-[(2R)-2-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2S)-2-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-3-methylthieno[2,3-b]pyrazine-6-carboxylic acid;tert-butyl 3-[4-[1-[(7-amino-3-methylthieno[2,3-b]pyrazine-6-carbonyl)amino]propan-2-yl]-2-fluorophenyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[4-[(2R)-1-[(7-amino-3-methylthieno[2,3-b]pyrazine-6-carbonyl)amino]propan-2-yl]-2-fluorophenyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[4-[(2S)-1-[(7-amino-3-methylthieno[2,3-b]pyrazine-6-carbonyl)amino]propan-2-yl]-2-fluorophenyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[4-(1-aminopropan-2-yl)-2-fluorophenyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
SMILESCC(CN)c1ccc(N2CC3CCC(C2)N3C(=O)OC(C)(C)C)c(F)c1.Cc1cnc2c(N)c(C(=O)NCC(C)c3ccc(N4CC5CCC(C4)N5C(=O)OC(C)(C)C)c(F)c3)sc2n1.Cc1cnc2c(N)c(C(=O)NC[C@@H](C)c3ccc(N4CC5CCC(C4)N5)c(F)c3)sc2n1.Cc1cnc2c(N)c(C(=O)NC[C@@H](C)c3ccc(N4CC5CCC(C4)N5C(=O)OC(C)(C)C)c(F)c3)sc2n1.Cc1cnc2c(N)c(C(=O)NC[C@H](C)c3ccc(N4CC5CCC(C4)N5)c(F)c3)sc2n1.Cc1cnc2c(N)c(C(=O)NC[C@H](C)c3ccc(N4CC5CCC(C4)N5C(=O)OC(C)(C)C)c(F)c3)sc2n1.Cc1cnc2c(N)c(C(=O)O)sc2n1
InChIInChI=1S/3C28H35FN6O3S.2C23H27FN6OS.C20H30FN3O2.C8H7N3O2S/c3*1-15(11-32-25(36)24-22(30)23-26(39-24)33-16(2)12-31-23)17-6-9-21(20(29)10-17)34-13-18-7-8-19(14-34)35(18)27(37)38-28(3,4)5;2*1-12(8-27-22(31)21-19(25)20-23(32-21)28-13(2)9-26-20)14-3-6-18(17(24)7-14)30-10-15-4-5-16(11-30)29-15;1-13(10-22)14-5-8-18(17(21)9-14)23-11-15-6-7-16(12-23)24(15)19(25)26-20(2,3)4;1-3-2-10-5-4(9)6(8(12)13)14-7(5)11-3/h3*6,9-10,12,15,18-19H,7-8,11,13-14,30H2,1-5H3,(H,32,36);2*3,6-7,9,12,15-16,29H,4-5,8,10-11,25H2,1-2H3,(H,27,31);5,8-9,13,15-16H,6-7,10-12,22H2,1-4H3;2H,9H2,1H3,(H,12,13)/t2*15-,18?,19?;;2*12-,15?,16?;;/m10.10../s1
InChIKeyGEVYLVOJVIKWRK-OZJWJCALSA-N
MW3145.93 g/mol
LogP25.67
Rot. Bonds29

About 7-amino-N-[(2R)-2-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2S)-2-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-3-methylthieno[2,3-b]pyrazine-6-carboxylic acid;tert-butyl 3-[4-[1-[(7-amino-3-methylthieno[2,3-b]pyrazine-6-carbonyl)amino]propan-2-yl]-2-fluorophenyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[4-[(2R)-1-[(7-amino-3-methylthieno[2,3-b]pyrazine-6-carbonyl)amino]propan-2-yl]-2-fluorophenyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[4-[(2S)-1-[(7-amino-3-methylthieno[2,3-b]pyrazine-6-carbonyl)amino]propan-2-yl]-2-fluorophenyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[4-(1-aminopropan-2-yl)-2-fluorophenyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate

7-amino-N-[(2R)-2-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2S)-2-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-3-methylthieno[2,3-b]pyrazine-6-carboxylic acid;tert-butyl 3-[4-[1-[(7-amino-3-methylthieno[2,3-b]pyrazine-6-carbonyl)amino]propan-2-yl]-2-fluorophenyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[4-[(2R)-1-[(7-amino-3-methylthieno[2,3-b]pyrazine-6-carbonyl)amino]propan-2-yl]-2-fluorophenyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[4-[(2S)-1-[(7-amino-3-methylthieno[2,3-b]pyrazine-6-carbonyl)amino]propan-2-yl]-2-fluorophenyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[4-(1-aminopropan-2-yl)-2-fluorophenyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate (PubChem CID 158235026) has the molecular formula C158H196F6N36O15S6 and a molecular weight of 3145.93 g/mol. Its IUPAC name is 7-amino-N-[(2R)-2-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2S)-2-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-3-methylthieno[2,3-b]pyrazine-6-carboxylic acid;tert-butyl 3-[4-[1-[(7-amino-3-methylthieno[2,3-b]pyrazine-6-carbonyl)amino]propan-2-yl]-2-fluorophenyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[4-[(2R)-1-[(7-amino-3-methylthieno[2,3-b]pyrazine-6-carbonyl)amino]propan-2-yl]-2-fluorophenyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[4-[(2S)-1-[(7-amino-3-methylthieno[2,3-b]pyrazine-6-carbonyl)amino]propan-2-yl]-2-fluorophenyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[4-(1-aminopropan-2-yl)-2-fluorophenyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate.

Molecular Properties

Compound Name7-amino-N-[(2R)-2-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2S)-2-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-3-methylthieno[2,3-b]pyrazine-6-carboxylic acid;tert-butyl 3-[4-[1-[(7-amino-3-methylthieno[2,3-b]pyrazine-6-carbonyl)amino]propan-2-yl]-2-fluorophenyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[4-[(2R)-1-[(7-amino-3-methylthieno[2,3-b]pyrazine-6-carbonyl)amino]propan-2-yl]-2-fluorophenyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[4-[(2S)-1-[(7-amino-3-methylthieno[2,3-b]pyrazine-6-carbonyl)amino]propan-2-yl]-2-fluorophenyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[4-(1-aminopropan-2-yl)-2-fluorophenyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
PubChem CID158235026
Molecular FormulaC158H196F6N36O15S6
Molecular Weight3145.93 g/mol
Exact Mass3143.39
IUPAC Name7-amino-N-[(2R)-2-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2S)-2-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-3-methylthieno[2,3-b]pyrazine-6-carboxylic acid;tert-butyl 3-[4-[1-[(7-amino-3-methylthieno[2,3-b]pyrazine-6-carbonyl)amino]propan-2-yl]-2-fluorophenyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[4-[(2R)-1-[(7-amino-3-methylthieno[2,3-b]pyrazine-6-carbonyl)amino]propan-2-yl]-2-fluorophenyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[4-[(2S)-1-[(7-amino-3-methylthieno[2,3-b]pyrazine-6-carbonyl)amino]propan-2-yl]-2-fluorophenyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[4-(1-aminopropan-2-yl)-2-fluorophenyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
SMILESCC(CN)c1ccc(N2CC3CCC(C2)N3C(=O)OC(C)(C)C)c(F)c1.Cc1cnc2c(N)c(C(=O)NCC(C)c3ccc(N4CC5CCC(C4)N5C(=O)OC(C)(C)C)c(F)c3)sc2n1.Cc1cnc2c(N)c(C(=O)NC[C@@H](C)c3ccc(N4CC5CCC(C4)N5)c(F)c3)sc2n1.Cc1cnc2c(N)c(C(=O)NC[C@@H](C)c3ccc(N4CC5CCC(C4)N5C(=O)OC(C)(C)C)c(F)c3)sc2n1.Cc1cnc2c(N)c(C(=O)NC[C@H](C)c3ccc(N4CC5CCC(C4)N5)c(F)c3)sc2n1.Cc1cnc2c(N)c(C(=O)NC[C@H](C)c3ccc(N4CC5CCC(C4)N5C(=O)OC(C)(C)C)c(F)c3)sc2n1.Cc1cnc2c(N)c(C(=O)O)sc2n1
InChIInChI=1S/3C28H35FN6O3S.2C23H27FN6OS.C20H30FN3O2.C8H7N3O2S/c3*1-15(11-32-25(36)24-22(30)23-26(39-24)33-16(2)12-31-23)17-6-9-21(20(29)10-17)34-13-18-7-8-19(14-34)35(18)27(37)38-28(3,4)5;2*1-12(8-27-22(31)21-19(25)20-23(32-21)28-13(2)9-26-20)14-3-6-18(17(24)7-14)30-10-15-4-5-16(11-30)29-15;1-13(10-22)14-5-8-18(17(21)9-14)23-11-15-6-7-16(12-23)24(15)19(25)26-20(2,3)4;1-3-2-10-5-4(9)6(8(12)13)14-7(5)11-3/h3*6,9-10,12,15,18-19H,7-8,11,13-14,30H2,1-5H3,(H,32,36);2*3,6-7,9,12,15-16,29H,4-5,8,10-11,25H2,1-2H3,(H,27,31);5,8-9,13,15-16H,6-7,10-12,22H2,1-4H3;2H,9H2,1H3,(H,12,13)/t2*15-,18?,19?;;2*12-,15?,16?;;/m10.10../s1
InChIKeyGEVYLVOJVIKWRK-OZJWJCALSA-N
XLogP25.67
TPSA681.28 Ų
H-Bond Donors15
H-Bond Acceptors47
Rotatable Bonds29
Heavy Atoms221
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003145.93
LogP ≤ 525.67
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1047

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze 7-amino-N-[(2R)-2-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2S)-2-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-3-methylthieno[2,3-b]pyrazine-6-carboxylic acid;tert-butyl 3-[4-[1-[(7-amino-3-methylthieno[2,3-b]pyrazine-6-carbonyl)amino]propan-2-yl]-2-fluorophenyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[4-[(2R)-1-[(7-amino-3-methylthieno[2,3-b]pyrazine-6-carbonyl)amino]propan-2-yl]-2-fluorophenyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[4-[(2S)-1-[(7-amino-3-methylthieno[2,3-b]pyrazine-6-carbonyl)amino]propan-2-yl]-2-fluorophenyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[4-(1-aminopropan-2-yl)-2-fluorophenyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[(2R)-2-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2S)-2-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-3-methylthieno[2,3-b]pyrazine-6-carboxylic acid;tert-butyl 3-[4-[1-[(7-amino-3-methylthieno[2,3-b]pyrazine-6-carbonyl)amino]propan-2-yl]-2-fluorophenyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[4-[(2R)-1-[(7-amino-3-methylthieno[2,3-b]pyrazine-6-carbonyl)amino]propan-2-yl]-2-fluorophenyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[4-[(2S)-1-[(7-amino-3-methylthieno[2,3-b]pyrazine-6-carbonyl)amino]propan-2-yl]-2-fluorophenyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[4-(1-aminopropan-2-yl)-2-fluorophenyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate?
The IUPAC name of 7-amino-N-[(2R)-2-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2S)-2-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-3-methylthieno[2,3-b]pyrazine-6-carboxylic acid;tert-butyl 3-[4-[1-[(7-amino-3-methylthieno[2,3-b]pyrazine-6-carbonyl)amino]propan-2-yl]-2-fluorophenyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[4-[(2R)-1-[(7-amino-3-methylthieno[2,3-b]pyrazine-6-carbonyl)amino]propan-2-yl]-2-fluorophenyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[4-[(2S)-1-[(7-amino-3-methylthieno[2,3-b]pyrazine-6-carbonyl)amino]propan-2-yl]-2-fluorophenyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[4-(1-aminopropan-2-yl)-2-fluorophenyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate (CID 158235026) is 7-amino-N-[(2R)-2-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2S)-2-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-3-methylthieno[2,3-b]pyrazine-6-carboxylic acid;tert-butyl 3-[4-[1-[(7-amino-3-methylthieno[2,3-b]pyrazine-6-carbonyl)amino]propan-2-yl]-2-fluorophenyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[4-[(2R)-1-[(7-amino-3-methylthieno[2,3-b]pyrazine-6-carbonyl)amino]propan-2-yl]-2-fluorophenyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[4-[(2S)-1-[(7-amino-3-methylthieno[2,3-b]pyrazine-6-carbonyl)amino]propan-2-yl]-2-fluorophenyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[4-(1-aminopropan-2-yl)-2-fluorophenyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate.
What is the SMILES notation for 7-amino-N-[(2R)-2-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2S)-2-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-3-methylthieno[2,3-b]pyrazine-6-carboxylic acid;tert-butyl 3-[4-[1-[(7-amino-3-methylthieno[2,3-b]pyrazine-6-carbonyl)amino]propan-2-yl]-2-fluorophenyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[4-[(2R)-1-[(7-amino-3-methylthieno[2,3-b]pyrazine-6-carbonyl)amino]propan-2-yl]-2-fluorophenyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[4-[(2S)-1-[(7-amino-3-methylthieno[2,3-b]pyrazine-6-carbonyl)amino]propan-2-yl]-2-fluorophenyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[4-(1-aminopropan-2-yl)-2-fluorophenyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate?
The canonical SMILES for 7-amino-N-[(2R)-2-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2S)-2-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-3-methylthieno[2,3-b]pyrazine-6-carboxylic acid;tert-butyl 3-[4-[1-[(7-amino-3-methylthieno[2,3-b]pyrazine-6-carbonyl)amino]propan-2-yl]-2-fluorophenyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[4-[(2R)-1-[(7-amino-3-methylthieno[2,3-b]pyrazine-6-carbonyl)amino]propan-2-yl]-2-fluorophenyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[4-[(2S)-1-[(7-amino-3-methylthieno[2,3-b]pyrazine-6-carbonyl)amino]propan-2-yl]-2-fluorophenyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[4-(1-aminopropan-2-yl)-2-fluorophenyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate is CC(CN)c1ccc(N2CC3CCC(C2)N3C(=O)OC(C)(C)C)c(F)c1.Cc1cnc2c(N)c(C(=O)NCC(C)c3ccc(N4CC5CCC(C4)N5C(=O)OC(C)(C)C)c(F)c3)sc2n1.Cc1cnc2c(N)c(C(=O)NC[C@@H](C)c3ccc(N4CC5CCC(C4)N5)c(F)c3)sc2n1.Cc1cnc2c(N)c(C(=O)NC[C@@H](C)c3ccc(N4CC5CCC(C4)N5C(=O)OC(C)(C)C)c(F)c3)sc2n1.Cc1cnc2c(N)c(C(=O)NC[C@H](C)c3ccc(N4CC5CCC(C4)N5)c(F)c3)sc2n1.Cc1cnc2c(N)c(C(=O)NC[C@H](C)c3ccc(N4CC5CCC(C4)N5C(=O)OC(C)(C)C)c(F)c3)sc2n1.Cc1cnc2c(N)c(C(=O)O)sc2n1.
What is the InChIKey of 7-amino-N-[(2R)-2-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2S)-2-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-3-methylthieno[2,3-b]pyrazine-6-carboxylic acid;tert-butyl 3-[4-[1-[(7-amino-3-methylthieno[2,3-b]pyrazine-6-carbonyl)amino]propan-2-yl]-2-fluorophenyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[4-[(2R)-1-[(7-amino-3-methylthieno[2,3-b]pyrazine-6-carbonyl)amino]propan-2-yl]-2-fluorophenyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[4-[(2S)-1-[(7-amino-3-methylthieno[2,3-b]pyrazine-6-carbonyl)amino]propan-2-yl]-2-fluorophenyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[4-(1-aminopropan-2-yl)-2-fluorophenyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate?
The InChIKey is GEVYLVOJVIKWRK-OZJWJCALSA-N. The full InChI is InChI=1S/3C28H35FN6O3S.2C23H27FN6OS.C20H30FN3O2.C8H7N3O2S/c3*1-15(11-32-25(36)24-22(30)23-26(39-24)33-16(2)12-31-23)17-6-9-21(20(29)10-17)34-13-18-7-8-19(14-34)35(18)27(37)38-28(3,4)5;2*1-12(8-27-22(31)21-19(25)20-23(32-21)28-13(2)9-26-20)14-3-6-18(17(24)7-14)30-10-15-4-5-16(11-30)29-15;1-13(10-22)14-5-8-18(17(21)9-14)23-11-15-6-7-16(12-23)24(15)19(25)26-20(2,3)4;1-3-2-10-5-4(9)6(8(12)13)14-7(5)11-3/h3*6,9-10,12,15,18-19H,7-8,11,13-14,30H2,1-5H3,(H,32,36);2*3,6-7,9,12,15-16,29H,4-5,8,10-11,25H2,1-2H3,(H,27,31);5,8-9,13,15-16H,6-7,10-12,22H2,1-4H3;2H,9H2,1H3,(H,12,13)/t2*15-,18?,19?;;2*12-,15?,16?;;/m10.10../s1.
What are the key properties of 7-amino-N-[(2R)-2-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2S)-2-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-3-methylthieno[2,3-b]pyrazine-6-carboxylic acid;tert-butyl 3-[4-[1-[(7-amino-3-methylthieno[2,3-b]pyrazine-6-carbonyl)amino]propan-2-yl]-2-fluorophenyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[4-[(2R)-1-[(7-amino-3-methylthieno[2,3-b]pyrazine-6-carbonyl)amino]propan-2-yl]-2-fluorophenyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[4-[(2S)-1-[(7-amino-3-methylthieno[2,3-b]pyrazine-6-carbonyl)amino]propan-2-yl]-2-fluorophenyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[4-(1-aminopropan-2-yl)-2-fluorophenyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate?
7-amino-N-[(2R)-2-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2S)-2-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-3-methylthieno[2,3-b]pyrazine-6-carboxylic acid;tert-butyl 3-[4-[1-[(7-amino-3-methylthieno[2,3-b]pyrazine-6-carbonyl)amino]propan-2-yl]-2-fluorophenyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[4-[(2R)-1-[(7-amino-3-methylthieno[2,3-b]pyrazine-6-carbonyl)amino]propan-2-yl]-2-fluorophenyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[4-[(2S)-1-[(7-amino-3-methylthieno[2,3-b]pyrazine-6-carbonyl)amino]propan-2-yl]-2-fluorophenyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[4-(1-aminopropan-2-yl)-2-fluorophenyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate has a molecular weight of 3145.93 g/mol, XLogP of 25.67, 29 rotatable bonds, 15 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[(2R)-2-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2S)-2-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-3-methylthieno[2,3-b]pyrazine-6-carboxylic acid;tert-butyl 3-[4-[1-[(7-amino-3-methylthieno[2,3-b]pyrazine-6-carbonyl)amino]propan-2-yl]-2-fluorophenyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[4-[(2R)-1-[(7-amino-3-methylthieno[2,3-b]pyrazine-6-carbonyl)amino]propan-2-yl]-2-fluorophenyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[4-[(2S)-1-[(7-amino-3-methylthieno[2,3-b]pyrazine-6-carbonyl)amino]propan-2-yl]-2-fluorophenyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[4-(1-aminopropan-2-yl)-2-fluorophenyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate is sourced from PubChem (CID 158235026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).