3-amino-N-[(3R)-7-(3-azabicyclo[3.1.1]heptan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;7-amino-N-[(3R)-7-(3-azabicyclo[3.1.1]heptan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(3R)-5-fluoro-7-(9-oxa-3-azabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;3-amino-N-[(3R)-5-fluoro-7-piperidin-1-yl-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-5-fluoro-7-piperidin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6-methoxythieno[2,3-b]pyridine-2-carboxamide;7-amino-N-[(3R)-5-fluoro-7-piperidin-1-yl-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide

C141H153F6N27O14S6 — CID 167708752

IUPAC3-amino-N-[(3R)-7-(3-azabicyclo[3.1.1]heptan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;7-amino-N-[(3R)-7-(3-azabicyclo[3.1.1]heptan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(3R)-5-fluoro-7-(9-oxa-3-azabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;3-amino-N-[(3R)-5-fluoro-7-piperidin-1-yl-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-5-fluoro-7-piperidin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6-methoxythieno[2,3-b]pyridine-2-carboxamide;7-amino-N-[(3R)-5-fluoro-7-piperidin-1-yl-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
SMILESCOc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5CCCCC5)cc(F)c4C3)sc2n1.Cc1cc(C)c2c(N)c(C(=O)N[C@H]3COc4cc(N5CC6CC(C6)C5)cc(F)c4C3)sc2n1.Cc1cc(C)c2c(N)c(C(=O)N[C@H]3COc4cc(N5CCCCC5)cc(F)c4C3)sc2n1.Cc1cnc2c(N)c(C(=O)N[C@H]3COc4cc(N5CC6CC(C6)C5)cc(F)c4C3)sc2n1.Cc1cnc2c(N)c(C(=O)N[C@H]3COc4cc(N5CC6CCCC(C5)O6)cc(F)c4C3)sc2n1.Cc1cnc2c(N)c(C(=O)N[C@H]3COc4cc(N5CCCCC5)cc(F)c4C3)sc2n1
InChIInChI=1S/C25H27FN4O2S.C24H26FN5O3S.C24H27FN4O2S.C23H24FN5O2S.C23H25FN4O3S.C22H24FN5O2S/c1-12-3-13(2)28-25-21(12)22(27)23(33-25)24(31)29-16-6-18-19(26)7-17(8-20(18)32-11-16)30-9-14-4-15(5-14)10-30;1-12-8-27-21-20(26)22(34-24(21)28-12)23(31)29-13-5-17-18(25)6-14(7-19(17)32-11-13)30-9-15-3-2-4-16(10-30)33-15;1-13-8-14(2)27-24-20(13)21(26)22(32-24)23(30)28-15-9-17-18(25)10-16(11-19(17)31-12-15)29-6-4-3-5-7-29;1-11-7-26-20-19(25)21(32-23(20)27-11)22(30)28-14-4-16-17(24)5-15(6-18(16)31-10-14)29-8-12-2-13(3-12)9-29;1-30-19-6-5-15-20(25)21(32-23(15)27-19)22(29)26-13-9-16-17(24)10-14(11-18(16)31-12-13)28-7-3-2-4-8-28;1-12-10-25-19-18(24)20(31-22(19)26-12)21(29)27-13-7-15-16(23)8-14(9-17(15)30-11-13)28-5-3-2-4-6-28/h3,7-8,14-16H,4-6,9-11,27H2,1-2H3,(H,29,31);6-8,13,15-16H,2-5,9-11,26H2,1H3,(H,29,31);8,10-11,15H,3-7,9,12,26H2,1-2H3,(H,28,30);5-7,12-14H,2-4,8-10,25H2,1H3,(H,28,30);5-6,10-11,13H,2-4,7-9,12,25H2,1H3,(H,26,29);8-10,13H,2-7,11,24H2,1H3,(H,27,29)/t14?,15?,16-;13-,15?,16?;15-;12?,13?,14-;2*13-/m111111/s1
InChIKeyZMSKYMICHIFUNL-AWGSOJIJSA-N
MW2756.34 g/mol
LogP22.28
Rot. Bonds19

About 3-amino-N-[(3R)-7-(3-azabicyclo[3.1.1]heptan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;7-amino-N-[(3R)-7-(3-azabicyclo[3.1.1]heptan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(3R)-5-fluoro-7-(9-oxa-3-azabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;3-amino-N-[(3R)-5-fluoro-7-piperidin-1-yl-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-5-fluoro-7-piperidin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6-methoxythieno[2,3-b]pyridine-2-carboxamide;7-amino-N-[(3R)-5-fluoro-7-piperidin-1-yl-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide

3-amino-N-[(3R)-7-(3-azabicyclo[3.1.1]heptan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;7-amino-N-[(3R)-7-(3-azabicyclo[3.1.1]heptan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(3R)-5-fluoro-7-(9-oxa-3-azabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;3-amino-N-[(3R)-5-fluoro-7-piperidin-1-yl-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-5-fluoro-7-piperidin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6-methoxythieno[2,3-b]pyridine-2-carboxamide;7-amino-N-[(3R)-5-fluoro-7-piperidin-1-yl-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide (PubChem CID 167708752) has the molecular formula C141H153F6N27O14S6 and a molecular weight of 2756.34 g/mol. Its IUPAC name is 3-amino-N-[(3R)-7-(3-azabicyclo[3.1.1]heptan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;7-amino-N-[(3R)-7-(3-azabicyclo[3.1.1]heptan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(3R)-5-fluoro-7-(9-oxa-3-azabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;3-amino-N-[(3R)-5-fluoro-7-piperidin-1-yl-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-5-fluoro-7-piperidin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6-methoxythieno[2,3-b]pyridine-2-carboxamide;7-amino-N-[(3R)-5-fluoro-7-piperidin-1-yl-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(3R)-7-(3-azabicyclo[3.1.1]heptan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;7-amino-N-[(3R)-7-(3-azabicyclo[3.1.1]heptan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(3R)-5-fluoro-7-(9-oxa-3-azabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;3-amino-N-[(3R)-5-fluoro-7-piperidin-1-yl-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-5-fluoro-7-piperidin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6-methoxythieno[2,3-b]pyridine-2-carboxamide;7-amino-N-[(3R)-5-fluoro-7-piperidin-1-yl-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
PubChem CID167708752
Molecular FormulaC141H153F6N27O14S6
Molecular Weight2756.34 g/mol
Exact Mass2754.03
IUPAC Name3-amino-N-[(3R)-7-(3-azabicyclo[3.1.1]heptan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;7-amino-N-[(3R)-7-(3-azabicyclo[3.1.1]heptan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(3R)-5-fluoro-7-(9-oxa-3-azabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;3-amino-N-[(3R)-5-fluoro-7-piperidin-1-yl-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-5-fluoro-7-piperidin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6-methoxythieno[2,3-b]pyridine-2-carboxamide;7-amino-N-[(3R)-5-fluoro-7-piperidin-1-yl-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
SMILESCOc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5CCCCC5)cc(F)c4C3)sc2n1.Cc1cc(C)c2c(N)c(C(=O)N[C@H]3COc4cc(N5CC6CC(C6)C5)cc(F)c4C3)sc2n1.Cc1cc(C)c2c(N)c(C(=O)N[C@H]3COc4cc(N5CCCCC5)cc(F)c4C3)sc2n1.Cc1cnc2c(N)c(C(=O)N[C@H]3COc4cc(N5CC6CC(C6)C5)cc(F)c4C3)sc2n1.Cc1cnc2c(N)c(C(=O)N[C@H]3COc4cc(N5CC6CCCC(C5)O6)cc(F)c4C3)sc2n1.Cc1cnc2c(N)c(C(=O)N[C@H]3COc4cc(N5CCCCC5)cc(F)c4C3)sc2n1
InChIInChI=1S/C25H27FN4O2S.C24H26FN5O3S.C24H27FN4O2S.C23H24FN5O2S.C23H25FN4O3S.C22H24FN5O2S/c1-12-3-13(2)28-25-21(12)22(27)23(33-25)24(31)29-16-6-18-19(26)7-17(8-20(18)32-11-16)30-9-14-4-15(5-14)10-30;1-12-8-27-21-20(26)22(34-24(21)28-12)23(31)29-13-5-17-18(25)6-14(7-19(17)32-11-13)30-9-15-3-2-4-16(10-30)33-15;1-13-8-14(2)27-24-20(13)21(26)22(32-24)23(30)28-15-9-17-18(25)10-16(11-19(17)31-12-15)29-6-4-3-5-7-29;1-11-7-26-20-19(25)21(32-23(20)27-11)22(30)28-14-4-16-17(24)5-15(6-18(16)31-10-14)29-8-12-2-13(3-12)9-29;1-30-19-6-5-15-20(25)21(32-23(15)27-19)22(29)26-13-9-16-17(24)10-14(11-18(16)31-12-13)28-7-3-2-4-8-28;1-12-10-25-19-18(24)20(31-22(19)26-12)21(29)27-13-7-15-16(23)8-14(9-17(15)30-11-13)28-5-3-2-4-6-28/h3,7-8,14-16H,4-6,9-11,27H2,1-2H3,(H,29,31);6-8,13,15-16H,2-5,9-11,26H2,1H3,(H,29,31);8,10-11,15H,3-7,9,12,26H2,1-2H3,(H,28,30);5-7,12-14H,2-4,8-10,25H2,1H3,(H,28,30);5-6,10-11,13H,2-4,7-9,12,25H2,1H3,(H,26,29);8-10,13H,2-7,11,24H2,1H3,(H,27,29)/t14?,15?,16-;13-,15?,16?;15-;12?,13?,14-;2*13-/m111111/s1
InChIKeyZMSKYMICHIFUNL-AWGSOJIJSA-N
XLogP22.28
TPSA540.01 Ų
H-Bond Donors12
H-Bond Acceptors41
Rotatable Bonds19
Heavy Atoms194
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002756.34
LogP ≤ 522.28
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1041

Analyze 3-amino-N-[(3R)-7-(3-azabicyclo[3.1.1]heptan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;7-amino-N-[(3R)-7-(3-azabicyclo[3.1.1]heptan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(3R)-5-fluoro-7-(9-oxa-3-azabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;3-amino-N-[(3R)-5-fluoro-7-piperidin-1-yl-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-5-fluoro-7-piperidin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6-methoxythieno[2,3-b]pyridine-2-carboxamide;7-amino-N-[(3R)-5-fluoro-7-piperidin-1-yl-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3R)-7-(3-azabicyclo[3.1.1]heptan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;7-amino-N-[(3R)-7-(3-azabicyclo[3.1.1]heptan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(3R)-5-fluoro-7-(9-oxa-3-azabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;3-amino-N-[(3R)-5-fluoro-7-piperidin-1-yl-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-5-fluoro-7-piperidin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6-methoxythieno[2,3-b]pyridine-2-carboxamide;7-amino-N-[(3R)-5-fluoro-7-piperidin-1-yl-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide?
The IUPAC name of 3-amino-N-[(3R)-7-(3-azabicyclo[3.1.1]heptan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;7-amino-N-[(3R)-7-(3-azabicyclo[3.1.1]heptan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(3R)-5-fluoro-7-(9-oxa-3-azabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;3-amino-N-[(3R)-5-fluoro-7-piperidin-1-yl-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-5-fluoro-7-piperidin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6-methoxythieno[2,3-b]pyridine-2-carboxamide;7-amino-N-[(3R)-5-fluoro-7-piperidin-1-yl-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide (CID 167708752) is 3-amino-N-[(3R)-7-(3-azabicyclo[3.1.1]heptan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;7-amino-N-[(3R)-7-(3-azabicyclo[3.1.1]heptan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(3R)-5-fluoro-7-(9-oxa-3-azabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;3-amino-N-[(3R)-5-fluoro-7-piperidin-1-yl-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-5-fluoro-7-piperidin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6-methoxythieno[2,3-b]pyridine-2-carboxamide;7-amino-N-[(3R)-5-fluoro-7-piperidin-1-yl-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide.
What is the SMILES notation for 3-amino-N-[(3R)-7-(3-azabicyclo[3.1.1]heptan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;7-amino-N-[(3R)-7-(3-azabicyclo[3.1.1]heptan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(3R)-5-fluoro-7-(9-oxa-3-azabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;3-amino-N-[(3R)-5-fluoro-7-piperidin-1-yl-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-5-fluoro-7-piperidin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6-methoxythieno[2,3-b]pyridine-2-carboxamide;7-amino-N-[(3R)-5-fluoro-7-piperidin-1-yl-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide?
The canonical SMILES for 3-amino-N-[(3R)-7-(3-azabicyclo[3.1.1]heptan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;7-amino-N-[(3R)-7-(3-azabicyclo[3.1.1]heptan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(3R)-5-fluoro-7-(9-oxa-3-azabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;3-amino-N-[(3R)-5-fluoro-7-piperidin-1-yl-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-5-fluoro-7-piperidin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6-methoxythieno[2,3-b]pyridine-2-carboxamide;7-amino-N-[(3R)-5-fluoro-7-piperidin-1-yl-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide is COc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5CCCCC5)cc(F)c4C3)sc2n1.Cc1cc(C)c2c(N)c(C(=O)N[C@H]3COc4cc(N5CC6CC(C6)C5)cc(F)c4C3)sc2n1.Cc1cc(C)c2c(N)c(C(=O)N[C@H]3COc4cc(N5CCCCC5)cc(F)c4C3)sc2n1.Cc1cnc2c(N)c(C(=O)N[C@H]3COc4cc(N5CC6CC(C6)C5)cc(F)c4C3)sc2n1.Cc1cnc2c(N)c(C(=O)N[C@H]3COc4cc(N5CC6CCCC(C5)O6)cc(F)c4C3)sc2n1.Cc1cnc2c(N)c(C(=O)N[C@H]3COc4cc(N5CCCCC5)cc(F)c4C3)sc2n1.
What is the InChIKey of 3-amino-N-[(3R)-7-(3-azabicyclo[3.1.1]heptan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;7-amino-N-[(3R)-7-(3-azabicyclo[3.1.1]heptan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(3R)-5-fluoro-7-(9-oxa-3-azabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;3-amino-N-[(3R)-5-fluoro-7-piperidin-1-yl-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-5-fluoro-7-piperidin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6-methoxythieno[2,3-b]pyridine-2-carboxamide;7-amino-N-[(3R)-5-fluoro-7-piperidin-1-yl-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide?
The InChIKey is ZMSKYMICHIFUNL-AWGSOJIJSA-N. The full InChI is InChI=1S/C25H27FN4O2S.C24H26FN5O3S.C24H27FN4O2S.C23H24FN5O2S.C23H25FN4O3S.C22H24FN5O2S/c1-12-3-13(2)28-25-21(12)22(27)23(33-25)24(31)29-16-6-18-19(26)7-17(8-20(18)32-11-16)30-9-14-4-15(5-14)10-30;1-12-8-27-21-20(26)22(34-24(21)28-12)23(31)29-13-5-17-18(25)6-14(7-19(17)32-11-13)30-9-15-3-2-4-16(10-30)33-15;1-13-8-14(2)27-24-20(13)21(26)22(32-24)23(30)28-15-9-17-18(25)10-16(11-19(17)31-12-15)29-6-4-3-5-7-29;1-11-7-26-20-19(25)21(32-23(20)27-11)22(30)28-14-4-16-17(24)5-15(6-18(16)31-10-14)29-8-12-2-13(3-12)9-29;1-30-19-6-5-15-20(25)21(32-23(15)27-19)22(29)26-13-9-16-17(24)10-14(11-18(16)31-12-13)28-7-3-2-4-8-28;1-12-10-25-19-18(24)20(31-22(19)26-12)21(29)27-13-7-15-16(23)8-14(9-17(15)30-11-13)28-5-3-2-4-6-28/h3,7-8,14-16H,4-6,9-11,27H2,1-2H3,(H,29,31);6-8,13,15-16H,2-5,9-11,26H2,1H3,(H,29,31);8,10-11,15H,3-7,9,12,26H2,1-2H3,(H,28,30);5-7,12-14H,2-4,8-10,25H2,1H3,(H,28,30);5-6,10-11,13H,2-4,7-9,12,25H2,1H3,(H,26,29);8-10,13H,2-7,11,24H2,1H3,(H,27,29)/t14?,15?,16-;13-,15?,16?;15-;12?,13?,14-;2*13-/m111111/s1.
What are the key properties of 3-amino-N-[(3R)-7-(3-azabicyclo[3.1.1]heptan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;7-amino-N-[(3R)-7-(3-azabicyclo[3.1.1]heptan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(3R)-5-fluoro-7-(9-oxa-3-azabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;3-amino-N-[(3R)-5-fluoro-7-piperidin-1-yl-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-5-fluoro-7-piperidin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6-methoxythieno[2,3-b]pyridine-2-carboxamide;7-amino-N-[(3R)-5-fluoro-7-piperidin-1-yl-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide?
3-amino-N-[(3R)-7-(3-azabicyclo[3.1.1]heptan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;7-amino-N-[(3R)-7-(3-azabicyclo[3.1.1]heptan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(3R)-5-fluoro-7-(9-oxa-3-azabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;3-amino-N-[(3R)-5-fluoro-7-piperidin-1-yl-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-5-fluoro-7-piperidin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6-methoxythieno[2,3-b]pyridine-2-carboxamide;7-amino-N-[(3R)-5-fluoro-7-piperidin-1-yl-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide has a molecular weight of 2756.34 g/mol, XLogP of 22.28, 19 rotatable bonds, 12 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3R)-7-(3-azabicyclo[3.1.1]heptan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;7-amino-N-[(3R)-7-(3-azabicyclo[3.1.1]heptan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(3R)-5-fluoro-7-(9-oxa-3-azabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;3-amino-N-[(3R)-5-fluoro-7-piperidin-1-yl-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-5-fluoro-7-piperidin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6-methoxythieno[2,3-b]pyridine-2-carboxamide;7-amino-N-[(3R)-5-fluoro-7-piperidin-1-yl-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide is sourced from PubChem (CID 167708752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).