N-[(3R)-7-[(3aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3S)-7-[(3aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;7-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6-fluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(3S)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6-fluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;1-(1-fluoroethyl)-N-[(3S)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyrrolo[2,3-b]pyridine-5-carboxamide;molecular hydrogen

C117H134F3N27O10S4 — CID 167658370

About N-[(3R)-7-[(3aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3S)-7-[(3aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;7-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6-fluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(3S)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6-fluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;1-(1-fluoroethyl)-N-[(3S)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyrrolo[2,3-b]pyridine-5-carboxamide;molecular hydrogen

N-[(3R)-7-[(3aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3S)-7-[(3aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;7-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6-fluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(3S)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6-fluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;1-(1-fluoroethyl)-N-[(3S)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyrrolo[2,3-b]pyridine-5-carboxamide;molecular hydrogen (PubChem CID 167658370) has the molecular formula C117H134F3N27O10S4 and a molecular weight of 2263.80 g/mol. Its IUPAC name is N-[(3R)-7-[(3aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3S)-7-[(3aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;7-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6-fluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(3S)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6-fluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;1-(1-fluoroethyl)-N-[(3S)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyrrolo[2,3-b]pyridine-5-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: N-[(3R)-7-[(3aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3S)-7-[(3aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;7-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6-fluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(3S)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6-fluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;1-(1-fluoroethyl)-N-[(3S)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyrrolo[2,3-b]pyridine-5-carboxamide;molecular hydrogen
• PubChem CID: 167658370
• Molecular Formula: C117H134F3N27O10S4
• Molecular Weight: 2263.80 g/mol
• Exact Mass: 2261.96
• IUPAC Name: N-[(3R)-7-[(3aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3S)-7-[(3aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;7-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6-fluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(3S)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6-fluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;1-(1-fluoroethyl)-N-[(3S)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyrrolo[2,3-b]pyridine-5-carboxamide;molecular hydrogen
• SMILES: CC(F)n1ccc2cc(C(=O)N[C@@H]3COc4cc(N5CCNCC5)ccc4C3)cnc21.Cc1ccc2c(N)c(C(=O)N[C@@H]3COc4cc(N5CC6CNC[C@H]6C5)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5CC6CNC[C@@H]6C5)ccc4C3)sc2n1.Cc1cnc2c(N)c(C(=O)N[C@@H]3COc4cc(N5CC6CCC(C5)N6)c(F)cc4C3)sc2n1.Cc1cnc2c(N)c(C(=O)N[C@H]3COc4cc(N5CC6CCC(C5)N6)c(F)cc4C3)sc2n1.[H][H].[H][H]
• InChI: InChI=1S/2C24H27N5O2S.2C23H25FN6O2S.C23H26FN5O2.2H2/c2*1-13-2-5-19-21(25)22(32-24(19)27-13)23(30)28-17-6-14-3-4-18(7-20(14)31-12-17)29-10-15-8-26-9-16(15)11-29;2*1-11-7-26-20-19(25)21(33-23(20)27-11)22(31)29-15-4-12-5-16(24)17(6-18(12)32-10-15)30-8-13-2-3-14(9-30)28-13;1-15(24)29-7-4-17-10-18(13-26-22(17)29)23(30)27-19-11-16-2-3-20(12-21(16)31-14-19)28-8-5-25-6-9-28;;/h2*2-5,7,15-17,26H,6,8-12,25H2,1H3,(H,28,30);2*5-7,13-15,28H,2-4,8-10,25H2,1H3,(H,29,31);2-4,7,10,12-13,15,19,25H,5-6,8-9,11,14H2,1H3,(H,27,30);2*1H/t2*15-,16?,17-;2*13?,14?,15-;15?,19-;;/m10100../s1
• InChIKey: RPEDGWHBKZUOAZ-XVRFBXIRSA-N
• XLogP: 13.10
• TPSA: 467.24 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 36
• Rotatable Bonds: 16
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2263.80
LogP ≤ 5	13.10
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-7-[(3aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3S)-7-[(3aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;7-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6-fluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(3S)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6-fluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;1-(1-fluoroethyl)-N-[(3S)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyrrolo[2,3-b]pyridine-5-carboxamide;molecular hydrogen?

The IUPAC name of N-[(3R)-7-[(3aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3S)-7-[(3aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;7-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6-fluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(3S)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6-fluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;1-(1-fluoroethyl)-N-[(3S)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyrrolo[2,3-b]pyridine-5-carboxamide;molecular hydrogen (CID 167658370) is N-[(3R)-7-[(3aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3S)-7-[(3aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;7-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6-fluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(3S)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6-fluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;1-(1-fluoroethyl)-N-[(3S)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyrrolo[2,3-b]pyridine-5-carboxamide;molecular hydrogen.

What is the SMILES notation for N-[(3R)-7-[(3aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3S)-7-[(3aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;7-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6-fluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(3S)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6-fluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;1-(1-fluoroethyl)-N-[(3S)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyrrolo[2,3-b]pyridine-5-carboxamide;molecular hydrogen?

The canonical SMILES for N-[(3R)-7-[(3aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3S)-7-[(3aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;7-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6-fluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(3S)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6-fluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;1-(1-fluoroethyl)-N-[(3S)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyrrolo[2,3-b]pyridine-5-carboxamide;molecular hydrogen is CC(F)n1ccc2cc(C(=O)N[C@@H]3COc4cc(N5CCNCC5)ccc4C3)cnc21.Cc1ccc2c(N)c(C(=O)N[C@@H]3COc4cc(N5CC6CNC[C@H]6C5)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5CC6CNC[C@@H]6C5)ccc4C3)sc2n1.Cc1cnc2c(N)c(C(=O)N[C@@H]3COc4cc(N5CC6CCC(C5)N6)c(F)cc4C3)sc2n1.Cc1cnc2c(N)c(C(=O)N[C@H]3COc4cc(N5CC6CCC(C5)N6)c(F)cc4C3)sc2n1.[H][H].[H][H].

What is the InChIKey of N-[(3R)-7-[(3aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3S)-7-[(3aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;7-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6-fluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(3S)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6-fluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;1-(1-fluoroethyl)-N-[(3S)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyrrolo[2,3-b]pyridine-5-carboxamide;molecular hydrogen?

The InChIKey is RPEDGWHBKZUOAZ-XVRFBXIRSA-N. The full InChI is InChI=1S/2C24H27N5O2S.2C23H25FN6O2S.C23H26FN5O2.2H2/c2*1-13-2-5-19-21(25)22(32-24(19)27-13)23(30)28-17-6-14-3-4-18(7-20(14)31-12-17)29-10-15-8-26-9-16(15)11-29;2*1-11-7-26-20-19(25)21(33-23(20)27-11)22(31)29-15-4-12-5-16(24)17(6-18(12)32-10-15)30-8-13-2-3-14(9-30)28-13;1-15(24)29-7-4-17-10-18(13-26-22(17)29)23(30)27-19-11-16-2-3-20(12-21(16)31-14-19)28-8-5-25-6-9-28;;/h2*2-5,7,15-17,26H,6,8-12,25H2,1H3,(H,28,30);2*5-7,13-15,28H,2-4,8-10,25H2,1H3,(H,29,31);2-4,7,10,12-13,15,19,25H,5-6,8-9,11,14H2,1H3,(H,27,30);2*1H/t2*15-,16?,17-;2*13?,14?,15-;15?,19-;;/m10100../s1.

What are the key properties of N-[(3R)-7-[(3aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3S)-7-[(3aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;7-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6-fluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(3S)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6-fluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;1-(1-fluoroethyl)-N-[(3S)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyrrolo[2,3-b]pyridine-5-carboxamide;molecular hydrogen?

N-[(3R)-7-[(3aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3S)-7-[(3aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;7-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6-fluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(3S)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6-fluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;1-(1-fluoroethyl)-N-[(3S)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyrrolo[2,3-b]pyridine-5-carboxamide;molecular hydrogen has a molecular weight of 2263.80 g/mol, XLogP of 13.10, 16 rotatable bonds, 14 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3R)-7-[(3aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3S)-7-[(3aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;7-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6-fluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(3S)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6-fluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;1-(1-fluoroethyl)-N-[(3S)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyrrolo[2,3-b]pyridine-5-carboxamide;molecular hydrogen is sourced from PubChem (CID 167658370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).