3-amino-N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5-cyano-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;(3S)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-3-[2-(7-amino-3-methylthieno[2,3-b]pyrazin-6-yl)-2-oxoethyl]-3,4-dihydro-2H-chromene-6-carbonitrile;(3S)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-3-[2-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-2-oxoethyl]-3,4-dihydro-2H-chromene-6-carbonitrile;2-[(3S)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]-1-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)ethanone

C97H108N22O11S4 — CID 167580404

About 3-amino-N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5-cyano-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;(3S)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-3-[2-(7-amino-3-methylthieno[2,3-b]pyrazin-6-yl)-2-oxoethyl]-3,4-dihydro-2H-chromene-6-carbonitrile;(3S)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-3-[2-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-2-oxoethyl]-3,4-dihydro-2H-chromene-6-carbonitrile;2-[(3S)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]-1-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)ethanone

3-amino-N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5-cyano-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;(3S)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-3-[2-(7-amino-3-methylthieno[2,3-b]pyrazin-6-yl)-2-oxoethyl]-3,4-dihydro-2H-chromene-6-carbonitrile;(3S)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-3-[2-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-2-oxoethyl]-3,4-dihydro-2H-chromene-6-carbonitrile;2-[(3S)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]-1-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)ethanone (PubChem CID 167580404) has the molecular formula C97H108N22O11S4 and a molecular weight of 1886.34 g/mol. Its IUPAC name is 3-amino-N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5-cyano-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;(3S)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-3-[2-(7-amino-3-methylthieno[2,3-b]pyrazin-6-yl)-2-oxoethyl]-3,4-dihydro-2H-chromene-6-carbonitrile;(3S)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-3-[2-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-2-oxoethyl]-3,4-dihydro-2H-chromene-6-carbonitrile;2-[(3S)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]-1-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)ethanone.

Molecular Properties

• Compound Name: 3-amino-N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5-cyano-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;(3S)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-3-[2-(7-amino-3-methylthieno[2,3-b]pyrazin-6-yl)-2-oxoethyl]-3,4-dihydro-2H-chromene-6-carbonitrile;(3S)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-3-[2-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-2-oxoethyl]-3,4-dihydro-2H-chromene-6-carbonitrile;2-[(3S)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]-1-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)ethanone
• PubChem CID: 167580404
• Molecular Formula: C97H108N22O11S4
• Molecular Weight: 1886.34 g/mol
• Exact Mass: 1884.75
• IUPAC Name: 3-amino-N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5-cyano-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;(3S)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-3-[2-(7-amino-3-methylthieno[2,3-b]pyrazin-6-yl)-2-oxoethyl]-3,4-dihydro-2H-chromene-6-carbonitrile;(3S)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-3-[2-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-2-oxoethyl]-3,4-dihydro-2H-chromene-6-carbonitrile;2-[(3S)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]-1-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)ethanone
• SMILES: CO[C@H]1CN(c2cc3c(cc2C#N)C[C@@H](CC(=O)c2sc4nc(C)ccc4c2N)CO3)C[C@@H]1N.CO[C@H]1CN(c2cc3c(cc2C#N)C[C@@H](CC(=O)c2sc4nc(C)cnc4c2N)CO3)C[C@@H]1N.CO[C@H]1CN(c2cc3c(cn2)C[C@@H](CC(=O)c2sc4nc(C)ccc4c2N)CO3)C[C@@H]1N.CO[C@H]1CN(c2ccc3c(c2C#N)CC[C@H](NC(=O)c2sc4nc(C)ccc4c2N)C3)C[C@@H]1N
• InChI: InChI=1S/C25H28N6O2S.C25H27N5O3S.C24H26N6O3S.C23H27N5O3S/c1-13-3-6-17-22(28)23(34-25(17)29-13)24(32)30-15-5-7-16-14(9-15)4-8-20(18(16)10-26)31-11-19(27)21(12-31)33-2;1-13-3-4-17-23(28)24(34-25(17)29-13)20(31)6-14-5-15-7-16(9-26)19(8-21(15)33-12-14)30-10-18(27)22(11-30)32-2;1-12-8-28-22-21(27)23(34-24(22)29-12)18(31)4-13-3-14-5-15(7-25)17(6-19(14)33-11-13)30-9-16(26)20(10-30)32-2;1-12-3-4-15-21(25)22(32-23(15)27-12)17(29)6-13-5-14-8-26-20(7-18(14)31-11-13)28-9-16(24)19(10-28)30-2/h3-4,6,8,15,19,21H,5,7,9,11-12,27-28H2,1-2H3,(H,30,32);3-4,7-8,14,18,22H,5-6,10-12,27-28H2,1-2H3;5-6,8,13,16,20H,3-4,9-11,26-27H2,1-2H3;3-4,7-8,13,16,19H,5-6,9-11,24-25H2,1-2H3/t15-,19-,21-;14-,18-,22-;13-,16-,20-;13-,16-,19-/m0000/s1
• InChIKey: HCJNSXOTSBOPAF-YDEMHXGBSA-N
• XLogP: 10.56
• TPSA: 514.75 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 36
• Rotatable Bonds: 19
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1886.34
LogP ≤ 5	10.56
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5-cyano-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;(3S)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-3-[2-(7-amino-3-methylthieno[2,3-b]pyrazin-6-yl)-2-oxoethyl]-3,4-dihydro-2H-chromene-6-carbonitrile;(3S)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-3-[2-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-2-oxoethyl]-3,4-dihydro-2H-chromene-6-carbonitrile;2-[(3S)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]-1-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)ethanone?

The IUPAC name of 3-amino-N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5-cyano-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;(3S)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-3-[2-(7-amino-3-methylthieno[2,3-b]pyrazin-6-yl)-2-oxoethyl]-3,4-dihydro-2H-chromene-6-carbonitrile;(3S)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-3-[2-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-2-oxoethyl]-3,4-dihydro-2H-chromene-6-carbonitrile;2-[(3S)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]-1-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)ethanone (CID 167580404) is 3-amino-N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5-cyano-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;(3S)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-3-[2-(7-amino-3-methylthieno[2,3-b]pyrazin-6-yl)-2-oxoethyl]-3,4-dihydro-2H-chromene-6-carbonitrile;(3S)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-3-[2-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-2-oxoethyl]-3,4-dihydro-2H-chromene-6-carbonitrile;2-[(3S)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]-1-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)ethanone.

What is the SMILES notation for 3-amino-N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5-cyano-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;(3S)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-3-[2-(7-amino-3-methylthieno[2,3-b]pyrazin-6-yl)-2-oxoethyl]-3,4-dihydro-2H-chromene-6-carbonitrile;(3S)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-3-[2-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-2-oxoethyl]-3,4-dihydro-2H-chromene-6-carbonitrile;2-[(3S)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]-1-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)ethanone?

The canonical SMILES for 3-amino-N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5-cyano-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;(3S)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-3-[2-(7-amino-3-methylthieno[2,3-b]pyrazin-6-yl)-2-oxoethyl]-3,4-dihydro-2H-chromene-6-carbonitrile;(3S)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-3-[2-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-2-oxoethyl]-3,4-dihydro-2H-chromene-6-carbonitrile;2-[(3S)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]-1-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)ethanone is CO[C@H]1CN(c2cc3c(cc2C#N)C[C@@H](CC(=O)c2sc4nc(C)ccc4c2N)CO3)C[C@@H]1N.CO[C@H]1CN(c2cc3c(cc2C#N)C[C@@H](CC(=O)c2sc4nc(C)cnc4c2N)CO3)C[C@@H]1N.CO[C@H]1CN(c2cc3c(cn2)C[C@@H](CC(=O)c2sc4nc(C)ccc4c2N)CO3)C[C@@H]1N.CO[C@H]1CN(c2ccc3c(c2C#N)CC[C@H](NC(=O)c2sc4nc(C)ccc4c2N)C3)C[C@@H]1N.

What is the InChIKey of 3-amino-N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5-cyano-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;(3S)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-3-[2-(7-amino-3-methylthieno[2,3-b]pyrazin-6-yl)-2-oxoethyl]-3,4-dihydro-2H-chromene-6-carbonitrile;(3S)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-3-[2-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-2-oxoethyl]-3,4-dihydro-2H-chromene-6-carbonitrile;2-[(3S)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]-1-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)ethanone?

The InChIKey is HCJNSXOTSBOPAF-YDEMHXGBSA-N. The full InChI is InChI=1S/C25H28N6O2S.C25H27N5O3S.C24H26N6O3S.C23H27N5O3S/c1-13-3-6-17-22(28)23(34-25(17)29-13)24(32)30-15-5-7-16-14(9-15)4-8-20(18(16)10-26)31-11-19(27)21(12-31)33-2;1-13-3-4-17-23(28)24(34-25(17)29-13)20(31)6-14-5-15-7-16(9-26)19(8-21(15)33-12-14)30-10-18(27)22(11-30)32-2;1-12-8-28-22-21(27)23(34-24(22)29-12)18(31)4-13-3-14-5-15(7-25)17(6-19(14)33-11-13)30-9-16(26)20(10-30)32-2;1-12-3-4-15-21(25)22(32-23(15)27-12)17(29)6-13-5-14-8-26-20(7-18(14)31-11-13)28-9-16(24)19(10-28)30-2/h3-4,6,8,15,19,21H,5,7,9,11-12,27-28H2,1-2H3,(H,30,32);3-4,7-8,14,18,22H,5-6,10-12,27-28H2,1-2H3;5-6,8,13,16,20H,3-4,9-11,26-27H2,1-2H3;3-4,7-8,13,16,19H,5-6,9-11,24-25H2,1-2H3/t15-,19-,21-;14-,18-,22-;13-,16-,20-;13-,16-,19-/m0000/s1.

What are the key properties of 3-amino-N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5-cyano-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;(3S)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-3-[2-(7-amino-3-methylthieno[2,3-b]pyrazin-6-yl)-2-oxoethyl]-3,4-dihydro-2H-chromene-6-carbonitrile;(3S)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-3-[2-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-2-oxoethyl]-3,4-dihydro-2H-chromene-6-carbonitrile;2-[(3S)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]-1-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)ethanone?

3-amino-N-[(2S)-6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5-cyano-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;(3S)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-3-[2-(7-amino-3-methylthieno[2,3-b]pyrazin-6-yl)-2-oxoethyl]-3,4-dihydro-2H-chromene-6-carbonitrile;(3S)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-3-[2-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-2-oxoethyl]-3,4-dihydro-2H-chromene-6-carbonitrile;2-[(3S)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]-1-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)ethanone has a molecular weight of 1886.34 g/mol, XLogP of 10.56, 19 rotatable bonds, 9 hydrogen bond donors, and 36 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]-5-cyano-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;(3S)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-3-[2-(7-amino-3-methylthieno[2,3-b]pyrazin-6-yl)-2-oxoethyl]-3,4-dihydro-2H-chromene-6-carbonitrile;(3S)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-3-[2-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-2-oxoethyl]-3,4-dihydro-2H-chromene-6-carbonitrile;2-[(3S)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]-1-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)ethanone is sourced from PubChem (CID 167580404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).