7-amino-N-[(3R)-7-[(3S,4R)-3-amino-4-methoxypyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;3-amino-N-[(3R)-7-[(3S,4R)-3-amino-4-methoxypyrrolidin-1-yl]-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-6-[(3R,4S)-3-amino-4-methoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide

C92H107F2N21O11S4 — CID 167596593

About 7-amino-N-[(3R)-7-[(3S,4R)-3-amino-4-methoxypyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;3-amino-N-[(3R)-7-[(3S,4R)-3-amino-4-methoxypyrrolidin-1-yl]-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-6-[(3R,4S)-3-amino-4-methoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide

7-amino-N-[(3R)-7-[(3S,4R)-3-amino-4-methoxypyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;3-amino-N-[(3R)-7-[(3S,4R)-3-amino-4-methoxypyrrolidin-1-yl]-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-6-[(3R,4S)-3-amino-4-methoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 167596593) has the molecular formula C92H107F2N21O11S4 and a molecular weight of 1849.27 g/mol. Its IUPAC name is 7-amino-N-[(3R)-7-[(3S,4R)-3-amino-4-methoxypyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;3-amino-N-[(3R)-7-[(3S,4R)-3-amino-4-methoxypyrrolidin-1-yl]-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-6-[(3R,4S)-3-amino-4-methoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 7-amino-N-[(3R)-7-[(3S,4R)-3-amino-4-methoxypyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;3-amino-N-[(3R)-7-[(3S,4R)-3-amino-4-methoxypyrrolidin-1-yl]-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-6-[(3R,4S)-3-amino-4-methoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 167596593
• Molecular Formula: C92H107F2N21O11S4
• Molecular Weight: 1849.27 g/mol
• Exact Mass: 1847.73
• IUPAC Name: 7-amino-N-[(3R)-7-[(3S,4R)-3-amino-4-methoxypyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;3-amino-N-[(3R)-7-[(3S,4R)-3-amino-4-methoxypyrrolidin-1-yl]-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-6-[(3R,4S)-3-amino-4-methoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
• SMILES: CO[C@@H]1CN(c2cc(F)c3c(c2)OC[C@H](NC(=O)c2sc4nc(C)ccc4c2N)C3)C[C@@H]1N.CO[C@@H]1CN(c2ccc3c(c2)OC[C@H](NC(=O)c2sc4nc(C)cnc4c2N)C3)C[C@@H]1N.CO[C@H]1CN(c2cc(F)c3c(c2)OC[C@H](NC(=O)c2sc4nc(C)ccc4c2N)C3)C[C@H]1N.CO[C@H]1CN(c2ccc3c(c2)CC[C@H](NC(=O)c2sc4nc(C)ccc4c2N)C3)C[C@H]1N
• InChI: InChI=1S/C24H29N5O2S.2C23H26FN5O3S.C22H26N6O3S/c1-13-3-8-18-21(26)22(32-24(18)27-13)23(30)28-16-6-4-15-10-17(7-5-14(15)9-16)29-11-19(25)20(12-29)31-2;2*1-11-3-4-14-20(26)21(33-23(14)27-11)22(30)28-12-5-15-16(24)6-13(7-18(15)32-10-12)29-8-17(25)19(9-29)31-2;1-11-7-25-19-18(24)20(32-22(19)26-11)21(29)27-13-5-12-3-4-14(6-16(12)31-10-13)28-8-15(23)17(9-28)30-2/h3,5,7-8,10,16,19-20H,4,6,9,11-12,25-26H2,1-2H3,(H,28,30);2*3-4,6-7,12,17,19H,5,8-10,25-26H2,1-2H3,(H,28,30);3-4,6-7,13,15,17H,5,8-10,23-24H2,1-2H3,(H,27,29)/t16-,19+,20-;12-,17+,19-;12-,17-,19+;13-,15+,17-/m0111/s1
• InChIKey: JDQKLSFCEXHLGG-ADUSMDLUSA-N
• XLogP: 8.56
• TPSA: 466.58 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 32
• Rotatable Bonds: 16
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1849.27
LogP ≤ 5	8.56
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	32

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-[(3R)-7-[(3S,4R)-3-amino-4-methoxypyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;3-amino-N-[(3R)-7-[(3S,4R)-3-amino-4-methoxypyrrolidin-1-yl]-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-6-[(3R,4S)-3-amino-4-methoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?

The IUPAC name of 7-amino-N-[(3R)-7-[(3S,4R)-3-amino-4-methoxypyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;3-amino-N-[(3R)-7-[(3S,4R)-3-amino-4-methoxypyrrolidin-1-yl]-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-6-[(3R,4S)-3-amino-4-methoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide (CID 167596593) is 7-amino-N-[(3R)-7-[(3S,4R)-3-amino-4-methoxypyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;3-amino-N-[(3R)-7-[(3S,4R)-3-amino-4-methoxypyrrolidin-1-yl]-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-6-[(3R,4S)-3-amino-4-methoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for 7-amino-N-[(3R)-7-[(3S,4R)-3-amino-4-methoxypyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;3-amino-N-[(3R)-7-[(3S,4R)-3-amino-4-methoxypyrrolidin-1-yl]-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-6-[(3R,4S)-3-amino-4-methoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for 7-amino-N-[(3R)-7-[(3S,4R)-3-amino-4-methoxypyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;3-amino-N-[(3R)-7-[(3S,4R)-3-amino-4-methoxypyrrolidin-1-yl]-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-6-[(3R,4S)-3-amino-4-methoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide is CO[C@@H]1CN(c2cc(F)c3c(c2)OC[C@H](NC(=O)c2sc4nc(C)ccc4c2N)C3)C[C@@H]1N.CO[C@@H]1CN(c2ccc3c(c2)OC[C@H](NC(=O)c2sc4nc(C)cnc4c2N)C3)C[C@@H]1N.CO[C@H]1CN(c2cc(F)c3c(c2)OC[C@H](NC(=O)c2sc4nc(C)ccc4c2N)C3)C[C@H]1N.CO[C@H]1CN(c2ccc3c(c2)CC[C@H](NC(=O)c2sc4nc(C)ccc4c2N)C3)C[C@H]1N.

What is the InChIKey of 7-amino-N-[(3R)-7-[(3S,4R)-3-amino-4-methoxypyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;3-amino-N-[(3R)-7-[(3S,4R)-3-amino-4-methoxypyrrolidin-1-yl]-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-6-[(3R,4S)-3-amino-4-methoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?

The InChIKey is JDQKLSFCEXHLGG-ADUSMDLUSA-N. The full InChI is InChI=1S/C24H29N5O2S.2C23H26FN5O3S.C22H26N6O3S/c1-13-3-8-18-21(26)22(32-24(18)27-13)23(30)28-16-6-4-15-10-17(7-5-14(15)9-16)29-11-19(25)20(12-29)31-2;2*1-11-3-4-14-20(26)21(33-23(14)27-11)22(30)28-12-5-15-16(24)6-13(7-18(15)32-10-12)29-8-17(25)19(9-29)31-2;1-11-7-25-19-18(24)20(32-22(19)26-11)21(29)27-13-5-12-3-4-14(6-16(12)31-10-13)28-8-15(23)17(9-28)30-2/h3,5,7-8,10,16,19-20H,4,6,9,11-12,25-26H2,1-2H3,(H,28,30);2*3-4,6-7,12,17,19H,5,8-10,25-26H2,1-2H3,(H,28,30);3-4,6-7,13,15,17H,5,8-10,23-24H2,1-2H3,(H,27,29)/t16-,19+,20-;12-,17+,19-;12-,17-,19+;13-,15+,17-/m0111/s1.

What are the key properties of 7-amino-N-[(3R)-7-[(3S,4R)-3-amino-4-methoxypyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;3-amino-N-[(3R)-7-[(3S,4R)-3-amino-4-methoxypyrrolidin-1-yl]-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-6-[(3R,4S)-3-amino-4-methoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?

7-amino-N-[(3R)-7-[(3S,4R)-3-amino-4-methoxypyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;3-amino-N-[(3R)-7-[(3S,4R)-3-amino-4-methoxypyrrolidin-1-yl]-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-6-[(3R,4S)-3-amino-4-methoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 1849.27 g/mol, XLogP of 8.56, 16 rotatable bonds, 12 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 7-amino-N-[(3R)-7-[(3S,4R)-3-amino-4-methoxypyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;3-amino-N-[(3R)-7-[(3S,4R)-3-amino-4-methoxypyrrolidin-1-yl]-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-6-[(3R,4S)-3-amino-4-methoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 167596593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).