7-amino-N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;3-amino-N-[(3R)-6-cyano-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-6-cyano-5-fluoro-7-(9-oxa-3-azabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4S)-3-methoxy-4-methylpiperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4R)-3-methoxy-4-methylpiperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide

C124H139F2N25O13S5 — CID 167656690

About 7-amino-N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;3-amino-N-[(3R)-6-cyano-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-6-cyano-5-fluoro-7-(9-oxa-3-azabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4S)-3-methoxy-4-methylpiperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4R)-3-methoxy-4-methylpiperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide

7-amino-N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;3-amino-N-[(3R)-6-cyano-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-6-cyano-5-fluoro-7-(9-oxa-3-azabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4S)-3-methoxy-4-methylpiperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4R)-3-methoxy-4-methylpiperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 167656690) has the molecular formula C124H139F2N25O13S5 and a molecular weight of 2385.97 g/mol. Its IUPAC name is 7-amino-N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;3-amino-N-[(3R)-6-cyano-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-6-cyano-5-fluoro-7-(9-oxa-3-azabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4S)-3-methoxy-4-methylpiperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4R)-3-methoxy-4-methylpiperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 7-amino-N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;3-amino-N-[(3R)-6-cyano-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-6-cyano-5-fluoro-7-(9-oxa-3-azabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4S)-3-methoxy-4-methylpiperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4R)-3-methoxy-4-methylpiperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 167656690
• Molecular Formula: C124H139F2N25O13S5
• Molecular Weight: 2385.97 g/mol
• Exact Mass: 2383.96
• IUPAC Name: 7-amino-N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;3-amino-N-[(3R)-6-cyano-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-6-cyano-5-fluoro-7-(9-oxa-3-azabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4S)-3-methoxy-4-methylpiperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4R)-3-methoxy-4-methylpiperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
• SMILES: CO[C@@H]1CN(c2ccc3c(c2)OC[C@H](NC(=O)c2sc4nc(C)ccc4c2N)C3)CC[C@H]1C.CO[C@H]1CN(c2ccc3c(c2)CC[C@H](NC(=O)c2sc4nc(C)cnc4c2N)C3)C[C@@H]1N.CO[C@H]1CN(c2ccc3c(c2)OC[C@H](NC(=O)c2sc4nc(C)ccc4c2N)C3)CC[C@@H]1C.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5CC6CCC(C5)N6)c(C#N)c(F)c4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5CC6CCCC(C5)O6)c(C#N)c(F)c4C3)sc2n1
• InChI: InChI=1S/C26H26FN5O3S.C25H25FN6O2S.2C25H30N4O3S.C23H28N6O2S/c1-13-5-6-17-23(29)24(36-26(17)30-13)25(33)31-14-7-18-21(34-12-14)8-20(19(9-28)22(18)27)32-10-15-3-2-4-16(11-32)35-15;1-12-2-5-16-22(28)23(35-25(16)29-12)24(33)31-15-6-17-20(34-11-15)7-19(18(8-27)21(17)26)32-9-13-3-4-14(10-32)30-13;2*1-14-8-9-29(12-21(14)31-3)18-6-5-16-10-17(13-32-20(16)11-18)28-24(30)23-22(26)19-7-4-15(2)27-25(19)33-23;1-12-9-26-20-19(25)21(32-23(20)27-12)22(30)28-15-5-3-14-8-16(6-4-13(14)7-15)29-10-17(24)18(11-29)31-2/h5-6,8,14-16H,2-4,7,10-12,29H2,1H3,(H,31,33);2,5,7,13-15,30H,3-4,6,9-11,28H2,1H3,(H,31,33);2*4-7,11,14,17,21H,8-10,12-13,26H2,1-3H3,(H,28,30);4,6,8-9,15,17-18H,3,5,7,10-11,24-25H2,1-2H3,(H,28,30)/t14-,15?,16?;13?,14?,15-;14-,17+,21-;14-,17-,21-;15-,17-,18-/m11010/s1
• InChIKey: RJCHCEXZOYQMTM-OHRKFCLMSA-N
• XLogP: 16.16
• TPSA: 528.61 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 38
• Rotatable Bonds: 18
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2385.97
LogP ≤ 5	16.16
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;3-amino-N-[(3R)-6-cyano-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-6-cyano-5-fluoro-7-(9-oxa-3-azabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4S)-3-methoxy-4-methylpiperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4R)-3-methoxy-4-methylpiperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?

The IUPAC name of 7-amino-N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;3-amino-N-[(3R)-6-cyano-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-6-cyano-5-fluoro-7-(9-oxa-3-azabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4S)-3-methoxy-4-methylpiperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4R)-3-methoxy-4-methylpiperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide (CID 167656690) is 7-amino-N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;3-amino-N-[(3R)-6-cyano-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-6-cyano-5-fluoro-7-(9-oxa-3-azabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4S)-3-methoxy-4-methylpiperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4R)-3-methoxy-4-methylpiperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for 7-amino-N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;3-amino-N-[(3R)-6-cyano-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-6-cyano-5-fluoro-7-(9-oxa-3-azabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4S)-3-methoxy-4-methylpiperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4R)-3-methoxy-4-methylpiperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for 7-amino-N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;3-amino-N-[(3R)-6-cyano-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-6-cyano-5-fluoro-7-(9-oxa-3-azabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4S)-3-methoxy-4-methylpiperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4R)-3-methoxy-4-methylpiperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide is CO[C@@H]1CN(c2ccc3c(c2)OC[C@H](NC(=O)c2sc4nc(C)ccc4c2N)C3)CC[C@H]1C.CO[C@H]1CN(c2ccc3c(c2)CC[C@H](NC(=O)c2sc4nc(C)cnc4c2N)C3)C[C@@H]1N.CO[C@H]1CN(c2ccc3c(c2)OC[C@H](NC(=O)c2sc4nc(C)ccc4c2N)C3)CC[C@@H]1C.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5CC6CCC(C5)N6)c(C#N)c(F)c4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5CC6CCCC(C5)O6)c(C#N)c(F)c4C3)sc2n1.

What is the InChIKey of 7-amino-N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;3-amino-N-[(3R)-6-cyano-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-6-cyano-5-fluoro-7-(9-oxa-3-azabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4S)-3-methoxy-4-methylpiperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4R)-3-methoxy-4-methylpiperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?

The InChIKey is RJCHCEXZOYQMTM-OHRKFCLMSA-N. The full InChI is InChI=1S/C26H26FN5O3S.C25H25FN6O2S.2C25H30N4O3S.C23H28N6O2S/c1-13-5-6-17-23(29)24(36-26(17)30-13)25(33)31-14-7-18-21(34-12-14)8-20(19(9-28)22(18)27)32-10-15-3-2-4-16(11-32)35-15;1-12-2-5-16-22(28)23(35-25(16)29-12)24(33)31-15-6-17-20(34-11-15)7-19(18(8-27)21(17)26)32-9-13-3-4-14(10-32)30-13;2*1-14-8-9-29(12-21(14)31-3)18-6-5-16-10-17(13-32-20(16)11-18)28-24(30)23-22(26)19-7-4-15(2)27-25(19)33-23;1-12-9-26-20-19(25)21(32-23(20)27-12)22(30)28-15-5-3-14-8-16(6-4-13(14)7-15)29-10-17(24)18(11-29)31-2/h5-6,8,14-16H,2-4,7,10-12,29H2,1H3,(H,31,33);2,5,7,13-15,30H,3-4,6,9-11,28H2,1H3,(H,31,33);2*4-7,11,14,17,21H,8-10,12-13,26H2,1-3H3,(H,28,30);4,6,8-9,15,17-18H,3,5,7,10-11,24-25H2,1-2H3,(H,28,30)/t14-,15?,16?;13?,14?,15-;14-,17+,21-;14-,17-,21-;15-,17-,18-/m11010/s1.

What are the key properties of 7-amino-N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;3-amino-N-[(3R)-6-cyano-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-6-cyano-5-fluoro-7-(9-oxa-3-azabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4S)-3-methoxy-4-methylpiperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4R)-3-methoxy-4-methylpiperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?

7-amino-N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;3-amino-N-[(3R)-6-cyano-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-6-cyano-5-fluoro-7-(9-oxa-3-azabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4S)-3-methoxy-4-methylpiperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4R)-3-methoxy-4-methylpiperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 2385.97 g/mol, XLogP of 16.16, 18 rotatable bonds, 12 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 7-amino-N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;3-amino-N-[(3R)-6-cyano-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-6-cyano-5-fluoro-7-(9-oxa-3-azabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4S)-3-methoxy-4-methylpiperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4R)-3-methoxy-4-methylpiperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 167656690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).