3-amino-N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methoxythieno[2,3-b]pyridine-2-carboxamide;6-amino-N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide;N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide

C95H117N21O9S3 — CID 167703685

About 3-amino-N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methoxythieno[2,3-b]pyridine-2-carboxamide;6-amino-N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide;N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide

3-amino-N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methoxythieno[2,3-b]pyridine-2-carboxamide;6-amino-N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide;N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide (PubChem CID 167703685) has the molecular formula C95H117N21O9S3 and a molecular weight of 1793.32 g/mol. Its IUPAC name is 3-amino-N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methoxythieno[2,3-b]pyridine-2-carboxamide;6-amino-N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide;N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 3-amino-N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methoxythieno[2,3-b]pyridine-2-carboxamide;6-amino-N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide;N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide
• PubChem CID: 167703685
• Molecular Formula: C95H117N21O9S3
• Molecular Weight: 1793.32 g/mol
• Exact Mass: 1791.85
• IUPAC Name: 3-amino-N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methoxythieno[2,3-b]pyridine-2-carboxamide;6-amino-N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide;N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide
• SMILES: CCn1ccc2cc(C(=O)N[C@H]3CCc4cc(N5C[C@H](OC)[C@@H](N)C5)ccc4C3)cnc21.CCn1ccc2cc(C(=O)N[C@H]3CCc4cc(N5C[C@H](OC)[C@@H](N)C5)ccc4C3)nnc21.CO[C@H]1CN(c2ccc3c(c2)CC[C@H](NC(=O)c2sc4nc(C)sc4c2N)C3)C[C@@H]1N.COc1ccc2c(N)c(C(=O)N[C@H]3CCc4cc(N5C[C@H](OC)[C@@H](N)C5)ccc4C3)sc2n1
• InChI: InChI=1S/C25H31N5O2.C24H30N6O2.C24H29N5O3S.C22H27N5O2S2/c1-3-29-9-8-18-10-19(13-27-24(18)29)25(31)28-20-6-4-17-12-21(7-5-16(17)11-20)30-14-22(26)23(15-30)32-2;1-3-29-9-8-17-12-21(27-28-23(17)29)24(31)26-18-6-4-16-11-19(7-5-15(16)10-18)30-13-20(25)22(14-30)32-2;1-31-19-12-29(11-18(19)25)16-6-4-13-9-15(5-3-14(13)10-16)27-23(30)22-21(26)17-7-8-20(32-2)28-24(17)33-22;1-11-25-22-20(30-11)18(24)19(31-22)21(28)26-14-5-3-13-8-15(6-4-12(13)7-14)27-9-16(23)17(10-27)29-2/h5,7-10,12-13,20,22-23H,3-4,6,11,14-15,26H2,1-2H3,(H,28,31);5,7-9,11-12,18,20,22H,3-4,6,10,13-14,25H2,1-2H3,(H,26,31);4,6-8,10,15,18-19H,3,5,9,11-12,25-26H2,1-2H3,(H,27,30);4,6,8,14,16-17H,3,5,7,9-10,23-24H2,1-2H3,(H,26,28)/t20-,22-,23-;18-,20-,22-;15-,18-,19-;14-,16-,17-/m0000/s1
• InChIKey: YTWRUFBTOSXJGU-RFNWEOPXSA-N
• XLogP: 9.44
• TPSA: 405.94 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 29
• Rotatable Bonds: 19
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1793.32
LogP ≤ 5	9.44
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	29

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,4S)-3-amino-4-methoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methoxythieno[2,3-b]pyridine-2-carboxamide;6-amino-N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide;N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide?

The IUPAC name of 3-amino-N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methoxythieno[2,3-b]pyridine-2-carboxamide;6-amino-N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide;N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide (CID 167703685) is 3-amino-N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methoxythieno[2,3-b]pyridine-2-carboxamide;6-amino-N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide;N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide.

What is the SMILES notation for 3-amino-N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methoxythieno[2,3-b]pyridine-2-carboxamide;6-amino-N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide;N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide?

The canonical SMILES for 3-amino-N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methoxythieno[2,3-b]pyridine-2-carboxamide;6-amino-N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide;N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide is CCn1ccc2cc(C(=O)N[C@H]3CCc4cc(N5C[C@H](OC)[C@@H](N)C5)ccc4C3)cnc21.CCn1ccc2cc(C(=O)N[C@H]3CCc4cc(N5C[C@H](OC)[C@@H](N)C5)ccc4C3)nnc21.CO[C@H]1CN(c2ccc3c(c2)CC[C@H](NC(=O)c2sc4nc(C)sc4c2N)C3)C[C@@H]1N.COc1ccc2c(N)c(C(=O)N[C@H]3CCc4cc(N5C[C@H](OC)[C@@H](N)C5)ccc4C3)sc2n1.

What is the InChIKey of 3-amino-N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methoxythieno[2,3-b]pyridine-2-carboxamide;6-amino-N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide;N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide?

The InChIKey is YTWRUFBTOSXJGU-RFNWEOPXSA-N. The full InChI is InChI=1S/C25H31N5O2.C24H30N6O2.C24H29N5O3S.C22H27N5O2S2/c1-3-29-9-8-18-10-19(13-27-24(18)29)25(31)28-20-6-4-17-12-21(7-5-16(17)11-20)30-14-22(26)23(15-30)32-2;1-3-29-9-8-17-12-21(27-28-23(17)29)24(31)26-18-6-4-16-11-19(7-5-15(16)10-18)30-13-20(25)22(14-30)32-2;1-31-19-12-29(11-18(19)25)16-6-4-13-9-15(5-3-14(13)10-16)27-23(30)22-21(26)17-7-8-20(32-2)28-24(17)33-22;1-11-25-22-20(30-11)18(24)19(31-22)21(28)26-14-5-3-13-8-15(6-4-12(13)7-14)27-9-16(23)17(10-27)29-2/h5,7-10,12-13,20,22-23H,3-4,6,11,14-15,26H2,1-2H3,(H,28,31);5,7-9,11-12,18,20,22H,3-4,6,10,13-14,25H2,1-2H3,(H,26,31);4,6-8,10,15,18-19H,3,5,9,11-12,25-26H2,1-2H3,(H,27,30);4,6,8,14,16-17H,3,5,7,9-10,23-24H2,1-2H3,(H,26,28)/t20-,22-,23-;18-,20-,22-;15-,18-,19-;14-,16-,17-/m0000/s1.

What are the key properties of 3-amino-N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methoxythieno[2,3-b]pyridine-2-carboxamide;6-amino-N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide;N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide?

3-amino-N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methoxythieno[2,3-b]pyridine-2-carboxamide;6-amino-N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide;N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide has a molecular weight of 1793.32 g/mol, XLogP of 9.44, 19 rotatable bonds, 10 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methoxythieno[2,3-b]pyridine-2-carboxamide;6-amino-N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide;N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide is sourced from PubChem (CID 167703685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).