3-amino-N-[(2S)-7,8-difluoro-6-piperazin-1-yl-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-5-fluoro-7-[(1S)-1-methyl-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;2-[(3S)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5,6-difluoro-3,4-dihydro-2H-chromen-3-yl]-1-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)ethanone;2-[(3S)-7-[(3R,4R)-3-amino-4-methoxypyrrolidin-1-yl]-5,6-difluoro-3,4-dihydro-2H-chromen-3-yl]-1-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)ethanone

C97H106F7N17O10S4 — CID 167557425

About 3-amino-N-[(2S)-7,8-difluoro-6-piperazin-1-yl-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-5-fluoro-7-[(1S)-1-methyl-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;2-[(3S)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5,6-difluoro-3,4-dihydro-2H-chromen-3-yl]-1-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)ethanone;2-[(3S)-7-[(3R,4R)-3-amino-4-methoxypyrrolidin-1-yl]-5,6-difluoro-3,4-dihydro-2H-chromen-3-yl]-1-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)ethanone

3-amino-N-[(2S)-7,8-difluoro-6-piperazin-1-yl-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-5-fluoro-7-[(1S)-1-methyl-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;2-[(3S)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5,6-difluoro-3,4-dihydro-2H-chromen-3-yl]-1-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)ethanone;2-[(3S)-7-[(3R,4R)-3-amino-4-methoxypyrrolidin-1-yl]-5,6-difluoro-3,4-dihydro-2H-chromen-3-yl]-1-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)ethanone (PubChem CID 167557425) has the molecular formula C97H106F7N17O10S4 and a molecular weight of 1931.28 g/mol. Its IUPAC name is 3-amino-N-[(2S)-7,8-difluoro-6-piperazin-1-yl-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-5-fluoro-7-[(1S)-1-methyl-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;2-[(3S)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5,6-difluoro-3,4-dihydro-2H-chromen-3-yl]-1-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)ethanone;2-[(3S)-7-[(3R,4R)-3-amino-4-methoxypyrrolidin-1-yl]-5,6-difluoro-3,4-dihydro-2H-chromen-3-yl]-1-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)ethanone.

Molecular Properties

• Compound Name: 3-amino-N-[(2S)-7,8-difluoro-6-piperazin-1-yl-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-5-fluoro-7-[(1S)-1-methyl-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;2-[(3S)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5,6-difluoro-3,4-dihydro-2H-chromen-3-yl]-1-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)ethanone;2-[(3S)-7-[(3R,4R)-3-amino-4-methoxypyrrolidin-1-yl]-5,6-difluoro-3,4-dihydro-2H-chromen-3-yl]-1-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)ethanone
• PubChem CID: 167557425
• Molecular Formula: C97H106F7N17O10S4
• Molecular Weight: 1931.28 g/mol
• Exact Mass: 1929.71
• IUPAC Name: 3-amino-N-[(2S)-7,8-difluoro-6-piperazin-1-yl-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-5-fluoro-7-[(1S)-1-methyl-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;2-[(3S)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5,6-difluoro-3,4-dihydro-2H-chromen-3-yl]-1-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)ethanone;2-[(3S)-7-[(3R,4R)-3-amino-4-methoxypyrrolidin-1-yl]-5,6-difluoro-3,4-dihydro-2H-chromen-3-yl]-1-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)ethanone
• SMILES: CO[C@@H]1CN(c2cc3c(c(F)c2F)C[C@@H](CC(=O)c2sc4nc(C)ccc4c2N)CO3)C[C@H]1N.CO[C@H]1CN(c2cc3c(c(F)c2F)C[C@@H](CC(=O)c2sc4nc(C)ccc4c2N)CO3)C[C@@H]1N.Cc1ccc2c(N)c(C(=O)N[C@H]3CCc4cc(N5CCNCC5)c(F)c(F)c4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5CC6CCC[C@@](C)(C5)O6)cc(F)c4C3)sc2n1
• InChI: InChI=1S/C26H29FN4O3S.2C24H26F2N4O3S.C23H25F2N5OS/c1-14-5-6-18-22(28)23(35-25(18)29-14)24(32)30-15-8-19-20(27)9-16(10-21(19)33-12-15)31-11-17-4-3-7-26(2,13-31)34-17;2*1-11-3-4-13-22(28)23(34-24(13)29-11)17(31)6-12-5-14-18(33-10-12)7-16(21(26)20(14)25)30-8-15(27)19(9-30)32-2;1-12-2-5-15-20(26)21(32-23(15)28-12)22(31)29-14-4-3-13-10-17(30-8-6-27-7-9-30)19(25)18(24)16(13)11-14/h5-6,9-10,15,17H,3-4,7-8,11-13,28H2,1-2H3,(H,30,32);2*3-4,7,12,15,19H,5-6,8-10,27-28H2,1-2H3;2,5,10,14,27H,3-4,6-9,11,26H2,1H3,(H,29,31)/t15-,17?,26+;12-,15+,19+;12-,15-,19-;14-/m1000/s1
• InChIKey: DEQFMZKVYSGRLR-VIKJKGITSA-N
• XLogP: 14.27
• TPSA: 380.39 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 29
• Rotatable Bonds: 16
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1931.28
LogP ≤ 5	14.27
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2S)-7,8-difluoro-6-piperazin-1-yl-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-5-fluoro-7-[(1S)-1-methyl-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;2-[(3S)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5,6-difluoro-3,4-dihydro-2H-chromen-3-yl]-1-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)ethanone;2-[(3S)-7-[(3R,4R)-3-amino-4-methoxypyrrolidin-1-yl]-5,6-difluoro-3,4-dihydro-2H-chromen-3-yl]-1-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)ethanone?

The IUPAC name of 3-amino-N-[(2S)-7,8-difluoro-6-piperazin-1-yl-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-5-fluoro-7-[(1S)-1-methyl-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;2-[(3S)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5,6-difluoro-3,4-dihydro-2H-chromen-3-yl]-1-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)ethanone;2-[(3S)-7-[(3R,4R)-3-amino-4-methoxypyrrolidin-1-yl]-5,6-difluoro-3,4-dihydro-2H-chromen-3-yl]-1-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)ethanone (CID 167557425) is 3-amino-N-[(2S)-7,8-difluoro-6-piperazin-1-yl-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-5-fluoro-7-[(1S)-1-methyl-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;2-[(3S)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5,6-difluoro-3,4-dihydro-2H-chromen-3-yl]-1-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)ethanone;2-[(3S)-7-[(3R,4R)-3-amino-4-methoxypyrrolidin-1-yl]-5,6-difluoro-3,4-dihydro-2H-chromen-3-yl]-1-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)ethanone.

What is the SMILES notation for 3-amino-N-[(2S)-7,8-difluoro-6-piperazin-1-yl-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-5-fluoro-7-[(1S)-1-methyl-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;2-[(3S)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5,6-difluoro-3,4-dihydro-2H-chromen-3-yl]-1-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)ethanone;2-[(3S)-7-[(3R,4R)-3-amino-4-methoxypyrrolidin-1-yl]-5,6-difluoro-3,4-dihydro-2H-chromen-3-yl]-1-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)ethanone?

The canonical SMILES for 3-amino-N-[(2S)-7,8-difluoro-6-piperazin-1-yl-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-5-fluoro-7-[(1S)-1-methyl-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;2-[(3S)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5,6-difluoro-3,4-dihydro-2H-chromen-3-yl]-1-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)ethanone;2-[(3S)-7-[(3R,4R)-3-amino-4-methoxypyrrolidin-1-yl]-5,6-difluoro-3,4-dihydro-2H-chromen-3-yl]-1-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)ethanone is CO[C@@H]1CN(c2cc3c(c(F)c2F)C[C@@H](CC(=O)c2sc4nc(C)ccc4c2N)CO3)C[C@H]1N.CO[C@H]1CN(c2cc3c(c(F)c2F)C[C@@H](CC(=O)c2sc4nc(C)ccc4c2N)CO3)C[C@@H]1N.Cc1ccc2c(N)c(C(=O)N[C@H]3CCc4cc(N5CCNCC5)c(F)c(F)c4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5CC6CCC[C@@](C)(C5)O6)cc(F)c4C3)sc2n1.

What is the InChIKey of 3-amino-N-[(2S)-7,8-difluoro-6-piperazin-1-yl-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-5-fluoro-7-[(1S)-1-methyl-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;2-[(3S)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5,6-difluoro-3,4-dihydro-2H-chromen-3-yl]-1-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)ethanone;2-[(3S)-7-[(3R,4R)-3-amino-4-methoxypyrrolidin-1-yl]-5,6-difluoro-3,4-dihydro-2H-chromen-3-yl]-1-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)ethanone?

The InChIKey is DEQFMZKVYSGRLR-VIKJKGITSA-N. The full InChI is InChI=1S/C26H29FN4O3S.2C24H26F2N4O3S.C23H25F2N5OS/c1-14-5-6-18-22(28)23(35-25(18)29-14)24(32)30-15-8-19-20(27)9-16(10-21(19)33-12-15)31-11-17-4-3-7-26(2,13-31)34-17;2*1-11-3-4-13-22(28)23(34-24(13)29-11)17(31)6-12-5-14-18(33-10-12)7-16(21(26)20(14)25)30-8-15(27)19(9-30)32-2;1-12-2-5-15-20(26)21(32-23(15)28-12)22(31)29-14-4-3-13-10-17(30-8-6-27-7-9-30)19(25)18(24)16(13)11-14/h5-6,9-10,15,17H,3-4,7-8,11-13,28H2,1-2H3,(H,30,32);2*3-4,7,12,15,19H,5-6,8-10,27-28H2,1-2H3;2,5,10,14,27H,3-4,6-9,11,26H2,1H3,(H,29,31)/t15-,17?,26+;12-,15+,19+;12-,15-,19-;14-/m1000/s1.

What are the key properties of 3-amino-N-[(2S)-7,8-difluoro-6-piperazin-1-yl-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-5-fluoro-7-[(1S)-1-methyl-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;2-[(3S)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5,6-difluoro-3,4-dihydro-2H-chromen-3-yl]-1-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)ethanone;2-[(3S)-7-[(3R,4R)-3-amino-4-methoxypyrrolidin-1-yl]-5,6-difluoro-3,4-dihydro-2H-chromen-3-yl]-1-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)ethanone?

3-amino-N-[(2S)-7,8-difluoro-6-piperazin-1-yl-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-5-fluoro-7-[(1S)-1-methyl-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;2-[(3S)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5,6-difluoro-3,4-dihydro-2H-chromen-3-yl]-1-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)ethanone;2-[(3S)-7-[(3R,4R)-3-amino-4-methoxypyrrolidin-1-yl]-5,6-difluoro-3,4-dihydro-2H-chromen-3-yl]-1-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)ethanone has a molecular weight of 1931.28 g/mol, XLogP of 14.27, 16 rotatable bonds, 9 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[(2S)-7,8-difluoro-6-piperazin-1-yl-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-5-fluoro-7-[(1S)-1-methyl-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;2-[(3S)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5,6-difluoro-3,4-dihydro-2H-chromen-3-yl]-1-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)ethanone;2-[(3S)-7-[(3R,4R)-3-amino-4-methoxypyrrolidin-1-yl]-5,6-difluoro-3,4-dihydro-2H-chromen-3-yl]-1-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)ethanone is sourced from PubChem (CID 167557425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).