N-[(3R)-7-[(3aR)-3a-amino-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-[(3aS)-3a-amino-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(2R,5S)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(2S,5R)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide

C98H110F6N20O8S4 — CID 167699046

About N-[(3R)-7-[(3aR)-3a-amino-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-[(3aS)-3a-amino-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(2R,5S)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(2S,5R)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide

N-[(3R)-7-[(3aR)-3a-amino-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-[(3aS)-3a-amino-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(2R,5S)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(2S,5R)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 167699046) has the molecular formula C98H110F6N20O8S4 and a molecular weight of 1938.35 g/mol. Its IUPAC name is N-[(3R)-7-[(3aR)-3a-amino-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-[(3aS)-3a-amino-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(2R,5S)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(2S,5R)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[(3R)-7-[(3aR)-3a-amino-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-[(3aS)-3a-amino-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(2R,5S)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(2S,5R)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 167699046
• Molecular Formula: C98H110F6N20O8S4
• Molecular Weight: 1938.35 g/mol
• Exact Mass: 1936.76
• IUPAC Name: N-[(3R)-7-[(3aR)-3a-amino-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-[(3aS)-3a-amino-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(2R,5S)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(2S,5R)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
• SMILES: Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5CC6CCC[C@@]6(N)C5)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5CC6CCC[C@]6(N)C5)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5C[C@@H](N)CC[C@@H]5C(F)(F)F)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5C[C@H](N)CC[C@H]5C(F)(F)F)ccc4C3)sc2n1
• InChI: InChI=1S/2C25H29N5O2S.2C24H26F3N5O2S/c2*1-14-4-7-19-21(26)22(33-24(19)28-14)23(31)29-17-9-15-5-6-18(10-20(15)32-12-17)30-11-16-3-2-8-25(16,27)13-30;2*1-12-2-6-17-20(29)21(35-23(17)30-12)22(33)31-15-8-13-3-5-16(9-18(13)34-11-15)32-10-14(28)4-7-19(32)24(25,26)27/h2*4-7,10,16-17H,2-3,8-9,11-13,26-27H2,1H3,(H,29,31);2*2-3,5-6,9,14-15,19H,4,7-8,10-11,28-29H2,1H3,(H,31,33)/t16?,17-,25+;16?,17-,25-;14-,15+,19+;14-,15-,19+/m1101/s1
• InChIKey: YCICGXLUGVYVJR-ZRMLEMICSA-N
• XLogP: 14.03
• TPSA: 426.00 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 28
• Rotatable Bonds: 12
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1938.35
LogP ≤ 5	14.03
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-7-[(3aR)-3a-amino-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-[(3aS)-3a-amino-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(2R,5S)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(2S,5R)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?

The IUPAC name of N-[(3R)-7-[(3aR)-3a-amino-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-[(3aS)-3a-amino-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(2R,5S)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(2S,5R)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide (CID 167699046) is N-[(3R)-7-[(3aR)-3a-amino-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-[(3aS)-3a-amino-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(2R,5S)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(2S,5R)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for N-[(3R)-7-[(3aR)-3a-amino-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-[(3aS)-3a-amino-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(2R,5S)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(2S,5R)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for N-[(3R)-7-[(3aR)-3a-amino-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-[(3aS)-3a-amino-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(2R,5S)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(2S,5R)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide is Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5CC6CCC[C@@]6(N)C5)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5CC6CCC[C@]6(N)C5)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5C[C@@H](N)CC[C@@H]5C(F)(F)F)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5C[C@H](N)CC[C@H]5C(F)(F)F)ccc4C3)sc2n1.

What is the InChIKey of N-[(3R)-7-[(3aR)-3a-amino-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-[(3aS)-3a-amino-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(2R,5S)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(2S,5R)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?

The InChIKey is YCICGXLUGVYVJR-ZRMLEMICSA-N. The full InChI is InChI=1S/2C25H29N5O2S.2C24H26F3N5O2S/c2*1-14-4-7-19-21(26)22(33-24(19)28-14)23(31)29-17-9-15-5-6-18(10-20(15)32-12-17)30-11-16-3-2-8-25(16,27)13-30;2*1-12-2-6-17-20(29)21(35-23(17)30-12)22(33)31-15-8-13-3-5-16(9-18(13)34-11-15)32-10-14(28)4-7-19(32)24(25,26)27/h2*4-7,10,16-17H,2-3,8-9,11-13,26-27H2,1H3,(H,29,31);2*2-3,5-6,9,14-15,19H,4,7-8,10-11,28-29H2,1H3,(H,31,33)/t16?,17-,25+;16?,17-,25-;14-,15+,19+;14-,15-,19+/m1101/s1.

What are the key properties of N-[(3R)-7-[(3aR)-3a-amino-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-[(3aS)-3a-amino-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(2R,5S)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(2S,5R)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?

N-[(3R)-7-[(3aR)-3a-amino-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-[(3aS)-3a-amino-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(2R,5S)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(2S,5R)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 1938.35 g/mol, XLogP of 14.03, 12 rotatable bonds, 12 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3R)-7-[(3aR)-3a-amino-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-[(3aS)-3a-amino-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(2R,5S)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(2S,5R)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 167699046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).