3-amino-N-[(2R)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-5-fluoro-6-methoxythieno[2,3-b]pyridine-2-carboxamide;N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide

C96H113F4N21O9S3 — CID 167535130

About 3-amino-N-[(2R)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-5-fluoro-6-methoxythieno[2,3-b]pyridine-2-carboxamide;N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide

3-amino-N-[(2R)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-5-fluoro-6-methoxythieno[2,3-b]pyridine-2-carboxamide;N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide (PubChem CID 167535130) has the molecular formula C96H113F4N21O9S3 and a molecular weight of 1877.29 g/mol. Its IUPAC name is 3-amino-N-[(2R)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-5-fluoro-6-methoxythieno[2,3-b]pyridine-2-carboxamide;N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 3-amino-N-[(2R)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-5-fluoro-6-methoxythieno[2,3-b]pyridine-2-carboxamide;N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide
• PubChem CID: 167535130
• Molecular Formula: C96H113F4N21O9S3
• Molecular Weight: 1877.29 g/mol
• Exact Mass: 1875.81
• IUPAC Name: 3-amino-N-[(2R)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-5-fluoro-6-methoxythieno[2,3-b]pyridine-2-carboxamide;N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-8-fluoro-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)cc(F)c4C3)nnc21.CO[C@H]1CN(c2cc(F)c3c(c2)CC[C@@H](NC(=O)c2sc4nc(C)ccc4c2N)C3)C[C@@H]1N.CO[C@H]1CN(c2cc(F)c3c(c2)CC[C@H](NC(=O)c2sc4nc(C)ccc4c2N)C3)C[C@@H]1N.COc1nc2sc(C(=O)N[C@H]3CCc4cc(N5C[C@H](OC)[C@@H](N)C5)ccc4C3)c(N)c2cc1F
• InChI: InChI=1S/C24H29FN6O2.C24H28FN5O3S.2C24H28FN5O2S/c1-3-30-7-6-15-9-21(28-29-23(15)30)24(32)27-16-5-4-14-8-17(11-19(25)18(14)10-16)31-12-20(26)22(13-31)33-2;1-32-19-11-30(10-18(19)26)15-6-4-12-7-14(5-3-13(12)8-15)28-22(31)21-20(27)16-9-17(25)23(33-2)29-24(16)34-21;2*1-12-3-6-16-21(27)22(33-24(16)28-12)23(31)29-14-5-4-13-7-15(9-18(25)17(13)8-14)30-10-19(26)20(11-30)32-2/h6-9,11,16,20,22H,3-5,10,12-13,26H2,1-2H3,(H,27,32);4,6,8-9,14,18-19H,3,5,7,10-11,26-27H2,1-2H3,(H,28,31);2*3,6-7,9,14,19-20H,4-5,8,10-11,26-27H2,1-2H3,(H,29,31)/t16-,20-,22-;14-,18-,19-;14-,19+,20+;14-,19-,20-/m0010/s1
• InChIKey: ALSIRRLEWPCRGB-VYWYCMLUSA-N
• XLogP: 10.07
• TPSA: 427.03 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 29
• Rotatable Bonds: 18
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1877.29
LogP ≤ 5	10.07
H-Bond Donors ≤ 5	11
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-[(2R)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-5-fluoro-6-methoxythieno[2,3-b]pyridine-2-carboxamide;N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide?

The IUPAC name of 3-amino-N-[(2R)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-5-fluoro-6-methoxythieno[2,3-b]pyridine-2-carboxamide;N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide (CID 167535130) is 3-amino-N-[(2R)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-5-fluoro-6-methoxythieno[2,3-b]pyridine-2-carboxamide;N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide.

What is the SMILES notation for 3-amino-N-[(2R)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-5-fluoro-6-methoxythieno[2,3-b]pyridine-2-carboxamide;N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide?

The canonical SMILES for 3-amino-N-[(2R)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-5-fluoro-6-methoxythieno[2,3-b]pyridine-2-carboxamide;N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-8-fluoro-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)cc(F)c4C3)nnc21.CO[C@H]1CN(c2cc(F)c3c(c2)CC[C@@H](NC(=O)c2sc4nc(C)ccc4c2N)C3)C[C@@H]1N.CO[C@H]1CN(c2cc(F)c3c(c2)CC[C@H](NC(=O)c2sc4nc(C)ccc4c2N)C3)C[C@@H]1N.COc1nc2sc(C(=O)N[C@H]3CCc4cc(N5C[C@H](OC)[C@@H](N)C5)ccc4C3)c(N)c2cc1F.

What is the InChIKey of 3-amino-N-[(2R)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-5-fluoro-6-methoxythieno[2,3-b]pyridine-2-carboxamide;N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide?

The InChIKey is ALSIRRLEWPCRGB-VYWYCMLUSA-N. The full InChI is InChI=1S/C24H29FN6O2.C24H28FN5O3S.2C24H28FN5O2S/c1-3-30-7-6-15-9-21(28-29-23(15)30)24(32)27-16-5-4-14-8-17(11-19(25)18(14)10-16)31-12-20(26)22(13-31)33-2;1-32-19-11-30(10-18(19)26)15-6-4-12-7-14(5-3-13(12)8-15)28-22(31)21-20(27)16-9-17(25)23(33-2)29-24(16)34-21;2*1-12-3-6-16-21(27)22(33-24(16)28-12)23(31)29-14-5-4-13-7-15(9-18(25)17(13)8-14)30-10-19(26)20(11-30)32-2/h6-9,11,16,20,22H,3-5,10,12-13,26H2,1-2H3,(H,27,32);4,6,8-9,14,18-19H,3,5,7,10-11,26-27H2,1-2H3,(H,28,31);2*3,6-7,9,14,19-20H,4-5,8,10-11,26-27H2,1-2H3,(H,29,31)/t16-,20-,22-;14-,18-,19-;14-,19+,20+;14-,19-,20-/m0010/s1.

What are the key properties of 3-amino-N-[(2R)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-5-fluoro-6-methoxythieno[2,3-b]pyridine-2-carboxamide;N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide?

3-amino-N-[(2R)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-5-fluoro-6-methoxythieno[2,3-b]pyridine-2-carboxamide;N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide has a molecular weight of 1877.29 g/mol, XLogP of 10.07, 18 rotatable bonds, 11 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[(2R)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-5-fluoro-6-methoxythieno[2,3-b]pyridine-2-carboxamide;N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide is sourced from PubChem (CID 167535130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).