3-amino-N-[(3R)-7-[(1S,6S)-7-azabicyclo[4.2.0]octan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(1R,6R)-7-azabicyclo[4.2.0]octan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;7-amino-2-ethyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyrazine-6-carboxamide;7-amino-2-ethyl-N-[(3S)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyrazine-6-carboxamide;1-(1-fluoroethyl)-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyrrolo[2,3-b]pyridine-5-carboxamide

C117H134FN25O10S4 — CID 167599582

About 3-amino-N-[(3R)-7-[(1S,6S)-7-azabicyclo[4.2.0]octan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(1R,6R)-7-azabicyclo[4.2.0]octan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;7-amino-2-ethyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyrazine-6-carboxamide;7-amino-2-ethyl-N-[(3S)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyrazine-6-carboxamide;1-(1-fluoroethyl)-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyrrolo[2,3-b]pyridine-5-carboxamide

3-amino-N-[(3R)-7-[(1S,6S)-7-azabicyclo[4.2.0]octan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(1R,6R)-7-azabicyclo[4.2.0]octan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;7-amino-2-ethyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyrazine-6-carboxamide;7-amino-2-ethyl-N-[(3S)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyrazine-6-carboxamide;1-(1-fluoroethyl)-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyrrolo[2,3-b]pyridine-5-carboxamide (PubChem CID 167599582) has the molecular formula C117H134FN25O10S4 and a molecular weight of 2197.79 g/mol. Its IUPAC name is 3-amino-N-[(3R)-7-[(1S,6S)-7-azabicyclo[4.2.0]octan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(1R,6R)-7-azabicyclo[4.2.0]octan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;7-amino-2-ethyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyrazine-6-carboxamide;7-amino-2-ethyl-N-[(3S)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyrazine-6-carboxamide;1-(1-fluoroethyl)-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyrrolo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: 3-amino-N-[(3R)-7-[(1S,6S)-7-azabicyclo[4.2.0]octan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(1R,6R)-7-azabicyclo[4.2.0]octan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;7-amino-2-ethyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyrazine-6-carboxamide;7-amino-2-ethyl-N-[(3S)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyrazine-6-carboxamide;1-(1-fluoroethyl)-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyrrolo[2,3-b]pyridine-5-carboxamide
• PubChem CID: 167599582
• Molecular Formula: C117H134FN25O10S4
• Molecular Weight: 2197.79 g/mol
• Exact Mass: 2195.96
• IUPAC Name: 3-amino-N-[(3R)-7-[(1S,6S)-7-azabicyclo[4.2.0]octan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(1R,6R)-7-azabicyclo[4.2.0]octan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;7-amino-2-ethyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyrazine-6-carboxamide;7-amino-2-ethyl-N-[(3S)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyrazine-6-carboxamide;1-(1-fluoroethyl)-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyrrolo[2,3-b]pyridine-5-carboxamide
• SMILES: CC(F)n1ccc2cc(C(=O)N[C@H]3COc4cc(N5CCNCC5)ccc4C3)cnc21.CCc1cnc2sc(C(=O)N[C@@H]3COc4cc(N5CCNCC5)ccc4C3)c(N)c2n1.CCc1cnc2sc(C(=O)N[C@H]3COc4cc(N5CCNCC5)ccc4C3)c(N)c2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5C[C@@H]6CCCC[C@@H]65)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5C[C@H]6CCCC[C@H]65)ccc4C3)sc2n1
• InChI: InChI=1S/2C25H28N4O2S.C23H26FN5O2.2C22H26N6O2S/c2*1-14-6-9-19-22(26)23(32-25(19)27-14)24(30)28-17-10-15-7-8-18(11-21(15)31-13-17)29-12-16-4-2-3-5-20(16)29;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;2*1-2-14-11-25-22-19(26-14)18(23)20(31-22)21(29)27-15-9-13-3-4-16(10-17(13)30-12-15)28-7-5-24-6-8-28/h2*6-9,11,16-17,20H,2-5,10,12-13,26H2,1H3,(H,28,30);2-4,7,10,12-13,15,19,25H,5-6,8-9,11,14H2,1H3,(H,27,30);2*3-4,10-11,15,24H,2,5-9,12,23H2,1H3,(H,27,29)/t16-,17+,20-;16-,17-,20-;15?,19-;2*15-/m01110/s1
• InChIKey: JNULJCUZDNJHAL-DTODZOIXSA-N
• XLogP: 15.22
• TPSA: 443.18 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 34
• Rotatable Bonds: 18
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2197.79
LogP ≤ 5	15.22
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3R)-7-[(1S,6S)-7-azabicyclo[4.2.0]octan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(1R,6R)-7-azabicyclo[4.2.0]octan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;7-amino-2-ethyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyrazine-6-carboxamide;7-amino-2-ethyl-N-[(3S)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyrazine-6-carboxamide;1-(1-fluoroethyl)-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyrrolo[2,3-b]pyridine-5-carboxamide?

The IUPAC name of 3-amino-N-[(3R)-7-[(1S,6S)-7-azabicyclo[4.2.0]octan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(1R,6R)-7-azabicyclo[4.2.0]octan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;7-amino-2-ethyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyrazine-6-carboxamide;7-amino-2-ethyl-N-[(3S)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyrazine-6-carboxamide;1-(1-fluoroethyl)-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyrrolo[2,3-b]pyridine-5-carboxamide (CID 167599582) is 3-amino-N-[(3R)-7-[(1S,6S)-7-azabicyclo[4.2.0]octan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(1R,6R)-7-azabicyclo[4.2.0]octan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;7-amino-2-ethyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyrazine-6-carboxamide;7-amino-2-ethyl-N-[(3S)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyrazine-6-carboxamide;1-(1-fluoroethyl)-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyrrolo[2,3-b]pyridine-5-carboxamide.

What is the SMILES notation for 3-amino-N-[(3R)-7-[(1S,6S)-7-azabicyclo[4.2.0]octan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(1R,6R)-7-azabicyclo[4.2.0]octan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;7-amino-2-ethyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyrazine-6-carboxamide;7-amino-2-ethyl-N-[(3S)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyrazine-6-carboxamide;1-(1-fluoroethyl)-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyrrolo[2,3-b]pyridine-5-carboxamide?

The canonical SMILES for 3-amino-N-[(3R)-7-[(1S,6S)-7-azabicyclo[4.2.0]octan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(1R,6R)-7-azabicyclo[4.2.0]octan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;7-amino-2-ethyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyrazine-6-carboxamide;7-amino-2-ethyl-N-[(3S)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyrazine-6-carboxamide;1-(1-fluoroethyl)-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyrrolo[2,3-b]pyridine-5-carboxamide is CC(F)n1ccc2cc(C(=O)N[C@H]3COc4cc(N5CCNCC5)ccc4C3)cnc21.CCc1cnc2sc(C(=O)N[C@@H]3COc4cc(N5CCNCC5)ccc4C3)c(N)c2n1.CCc1cnc2sc(C(=O)N[C@H]3COc4cc(N5CCNCC5)ccc4C3)c(N)c2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5C[C@@H]6CCCC[C@@H]65)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5C[C@H]6CCCC[C@H]65)ccc4C3)sc2n1.

What is the InChIKey of 3-amino-N-[(3R)-7-[(1S,6S)-7-azabicyclo[4.2.0]octan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(1R,6R)-7-azabicyclo[4.2.0]octan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;7-amino-2-ethyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyrazine-6-carboxamide;7-amino-2-ethyl-N-[(3S)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyrazine-6-carboxamide;1-(1-fluoroethyl)-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyrrolo[2,3-b]pyridine-5-carboxamide?

The InChIKey is JNULJCUZDNJHAL-DTODZOIXSA-N. The full InChI is InChI=1S/2C25H28N4O2S.C23H26FN5O2.2C22H26N6O2S/c2*1-14-6-9-19-22(26)23(32-25(19)27-14)24(30)28-17-10-15-7-8-18(11-21(15)31-13-17)29-12-16-4-2-3-5-20(16)29;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;2*1-2-14-11-25-22-19(26-14)18(23)20(31-22)21(29)27-15-9-13-3-4-16(10-17(13)30-12-15)28-7-5-24-6-8-28/h2*6-9,11,16-17,20H,2-5,10,12-13,26H2,1H3,(H,28,30);2-4,7,10,12-13,15,19,25H,5-6,8-9,11,14H2,1H3,(H,27,30);2*3-4,10-11,15,24H,2,5-9,12,23H2,1H3,(H,27,29)/t16-,17+,20-;16-,17-,20-;15?,19-;2*15-/m01110/s1.

What are the key properties of 3-amino-N-[(3R)-7-[(1S,6S)-7-azabicyclo[4.2.0]octan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(1R,6R)-7-azabicyclo[4.2.0]octan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;7-amino-2-ethyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyrazine-6-carboxamide;7-amino-2-ethyl-N-[(3S)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyrazine-6-carboxamide;1-(1-fluoroethyl)-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyrrolo[2,3-b]pyridine-5-carboxamide?

3-amino-N-[(3R)-7-[(1S,6S)-7-azabicyclo[4.2.0]octan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(1R,6R)-7-azabicyclo[4.2.0]octan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;7-amino-2-ethyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyrazine-6-carboxamide;7-amino-2-ethyl-N-[(3S)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyrazine-6-carboxamide;1-(1-fluoroethyl)-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyrrolo[2,3-b]pyridine-5-carboxamide has a molecular weight of 2197.79 g/mol, XLogP of 15.22, 18 rotatable bonds, 12 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[(3R)-7-[(1S,6S)-7-azabicyclo[4.2.0]octan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(1R,6R)-7-azabicyclo[4.2.0]octan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;7-amino-2-ethyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyrazine-6-carboxamide;7-amino-2-ethyl-N-[(3S)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyrazine-6-carboxamide;1-(1-fluoroethyl)-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyrrolo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 167599582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).