3-amino-N-[(2S)-6-[(3S,4R)-3-amino-4-ethoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6R)-2-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinazolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide

C99H122F2N22O10S4 — CID 167619178

About 3-amino-N-[(2S)-6-[(3S,4R)-3-amino-4-ethoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6R)-2-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinazolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N-[(2S)-6-[(3S,4R)-3-amino-4-ethoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6R)-2-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinazolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 167619178) has the molecular formula C99H122F2N22O10S4 and a molecular weight of 1946.47 g/mol. Its IUPAC name is 3-amino-N-[(2S)-6-[(3S,4R)-3-amino-4-ethoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6R)-2-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinazolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-N-[(2S)-6-[(3S,4R)-3-amino-4-ethoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6R)-2-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinazolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 167619178
• Molecular Formula: C99H122F2N22O10S4
• Molecular Weight: 1946.47 g/mol
• Exact Mass: 1944.86
• IUPAC Name: 3-amino-N-[(2S)-6-[(3S,4R)-3-amino-4-ethoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6R)-2-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinazolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
• SMILES: CCO[C@@H]1CN(c2ccc3c(c2)CC[C@H](NC(=O)c2sc4nc(C)cc(C)c4c2N)C3)C[C@@H]1N.COC[C@@H]1CN(c2cc(F)c3c(c2F)OC[C@H](NC(=O)c2sc4nc(C)cc(C)c4c2N)C3)C[C@@H]1N.COC[C@H]1CN(c2ccc3c(c2)OC[C@H](NC(=O)c2sc4nc(C)cc(C)c4c2N)C3)C[C@H]1N.CO[C@H]1CN(c2ncc3c(n2)CC[C@@H](NC(=O)c2sc4nc(C)cc(C)c4c2N)C3)C[C@@H]1N
• InChI: InChI=1S/C26H33N5O2S.C25H29F2N5O3S.C25H31N5O3S.C23H29N7O2S/c1-4-33-21-13-31(12-20(21)27)19-8-6-16-10-18(7-5-17(16)11-19)30-25(32)24-23(28)22-14(2)9-15(3)29-26(22)34-24;1-11-4-12(2)30-25-19(11)21(29)23(36-25)24(33)31-14-5-15-16(26)6-18(20(27)22(15)35-10-14)32-7-13(9-34-3)17(28)8-32;1-13-6-14(2)28-25-21(13)22(27)23(34-25)24(31)29-17-7-15-4-5-18(8-20(15)33-12-17)30-9-16(11-32-3)19(26)10-30;1-11-6-12(2)27-22-18(11)19(25)20(33-22)21(31)28-14-4-5-16-13(7-14)8-26-23(29-16)30-9-15(24)17(10-30)32-3/h6,8-9,11,18,20-21H,4-5,7,10,12-13,27-28H2,1-3H3,(H,30,32);4,6,13-14,17H,5,7-10,28-29H2,1-3H3,(H,31,33);4-6,8,16-17,19H,7,9-12,26-27H2,1-3H3,(H,29,31);6,8,14-15,17H,4-5,7,9-10,24-25H2,1-3H3,(H,28,31)/t18-,20-,21+;13-,14+,17-;16-,17-,19-;14-,15+,17+/m0011/s1
• InChIKey: MEQITHXSMALVNH-TWKHBQTBSA-N
• XLogP: 10.63
• TPSA: 470.24 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 32
• Rotatable Bonds: 19
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1946.47
LogP ≤ 5	10.63
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 3-amino-N-[(2S)-6-[(3S,4R)-3-amino-4-ethoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6R)-2-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinazolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?

The IUPAC name of 3-amino-N-[(2S)-6-[(3S,4R)-3-amino-4-ethoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6R)-2-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinazolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide (CID 167619178) is 3-amino-N-[(2S)-6-[(3S,4R)-3-amino-4-ethoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6R)-2-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinazolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for 3-amino-N-[(2S)-6-[(3S,4R)-3-amino-4-ethoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6R)-2-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinazolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for 3-amino-N-[(2S)-6-[(3S,4R)-3-amino-4-ethoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6R)-2-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinazolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide is CCO[C@@H]1CN(c2ccc3c(c2)CC[C@H](NC(=O)c2sc4nc(C)cc(C)c4c2N)C3)C[C@@H]1N.COC[C@@H]1CN(c2cc(F)c3c(c2F)OC[C@H](NC(=O)c2sc4nc(C)cc(C)c4c2N)C3)C[C@@H]1N.COC[C@H]1CN(c2ccc3c(c2)OC[C@H](NC(=O)c2sc4nc(C)cc(C)c4c2N)C3)C[C@H]1N.CO[C@H]1CN(c2ncc3c(n2)CC[C@@H](NC(=O)c2sc4nc(C)cc(C)c4c2N)C3)C[C@@H]1N.

What is the InChIKey of 3-amino-N-[(2S)-6-[(3S,4R)-3-amino-4-ethoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6R)-2-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinazolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?

The InChIKey is MEQITHXSMALVNH-TWKHBQTBSA-N. The full InChI is InChI=1S/C26H33N5O2S.C25H29F2N5O3S.C25H31N5O3S.C23H29N7O2S/c1-4-33-21-13-31(12-20(21)27)19-8-6-16-10-18(7-5-17(16)11-19)30-25(32)24-23(28)22-14(2)9-15(3)29-26(22)34-24;1-11-4-12(2)30-25-19(11)21(29)23(36-25)24(33)31-14-5-15-16(26)6-18(20(27)22(15)35-10-14)32-7-13(9-34-3)17(28)8-32;1-13-6-14(2)28-25-21(13)22(27)23(34-25)24(31)29-17-7-15-4-5-18(8-20(15)33-12-17)30-9-16(11-32-3)19(26)10-30;1-11-6-12(2)27-22-18(11)19(25)20(33-22)21(31)28-14-4-5-16-13(7-14)8-26-23(29-16)30-9-15(24)17(10-30)32-3/h6,8-9,11,18,20-21H,4-5,7,10,12-13,27-28H2,1-3H3,(H,30,32);4,6,13-14,17H,5,7-10,28-29H2,1-3H3,(H,31,33);4-6,8,16-17,19H,7,9-12,26-27H2,1-3H3,(H,29,31);6,8,14-15,17H,4-5,7,9-10,24-25H2,1-3H3,(H,28,31)/t18-,20-,21+;13-,14+,17-;16-,17-,19-;14-,15+,17+/m0011/s1.

What are the key properties of 3-amino-N-[(2S)-6-[(3S,4R)-3-amino-4-ethoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6R)-2-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinazolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?

3-amino-N-[(2S)-6-[(3S,4R)-3-amino-4-ethoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6R)-2-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinazolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 1946.47 g/mol, XLogP of 10.63, 19 rotatable bonds, 12 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[(2S)-6-[(3S,4R)-3-amino-4-ethoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6R)-2-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinazolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 167619178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).