7-amino-N-[(2S)-6-(3,9-diazabicyclo[3.3.1]nonan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2S)-6-(1,4-diazepan-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2S)-6-(6,6-difluoro-1,4-diazepan-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyrazolo[1,5-a]pyridine-3-carboxamide

C93H109F2N23O5S3 — CID 167623631

About 7-amino-N-[(2S)-6-(3,9-diazabicyclo[3.3.1]nonan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2S)-6-(1,4-diazepan-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2S)-6-(6,6-difluoro-1,4-diazepan-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyrazolo[1,5-a]pyridine-3-carboxamide

7-amino-N-[(2S)-6-(3,9-diazabicyclo[3.3.1]nonan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2S)-6-(1,4-diazepan-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2S)-6-(6,6-difluoro-1,4-diazepan-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 167623631) has the molecular formula C93H109F2N23O5S3 and a molecular weight of 1763.25 g/mol. Its IUPAC name is 7-amino-N-[(2S)-6-(3,9-diazabicyclo[3.3.1]nonan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2S)-6-(1,4-diazepan-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2S)-6-(6,6-difluoro-1,4-diazepan-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 7-amino-N-[(2S)-6-(3,9-diazabicyclo[3.3.1]nonan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2S)-6-(1,4-diazepan-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2S)-6-(6,6-difluoro-1,4-diazepan-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
• PubChem CID: 167623631
• Molecular Formula: C93H109F2N23O5S3
• Molecular Weight: 1763.25 g/mol
• Exact Mass: 1761.81
• IUPAC Name: 7-amino-N-[(2S)-6-(3,9-diazabicyclo[3.3.1]nonan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2S)-6-(1,4-diazepan-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2S)-6-(6,6-difluoro-1,4-diazepan-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
• SMILES: Cc1cccc2c(C(=O)N[C@H]3COc4cc(N5CCNCC5)ccc4C3)cnn12.Cc1cnc2c(N)c(C(=O)N[C@H]3CCc4cc(N5CC6CCCC(C5)N6)ccc4C3)sc2n1.Cc1cnc2c(N)c(C(=O)N[C@H]3CCc4cc(N5CCCNCC5)ccc4C3)sc2n1.Cc1cnc2c(N)c(C(=O)N[C@H]3CCc4cc(N5CCNCC(F)(F)C5)ccc4C3)sc2n1
• InChI: InChI=1S/C25H30N6OS.C23H26F2N6OS.C23H28N6OS.C22H25N5O2/c1-14-11-27-22-21(26)23(33-25(22)28-14)24(32)30-17-7-5-16-10-20(8-6-15(16)9-17)31-12-18-3-2-4-19(13-31)29-18;1-13-10-28-19-18(26)20(33-22(19)29-13)21(32)30-16-4-2-15-9-17(5-3-14(15)8-16)31-7-6-27-11-23(24,25)12-31;1-14-13-26-20-19(24)21(31-23(20)27-14)22(30)28-17-5-3-16-12-18(6-4-15(16)11-17)29-9-2-7-25-8-10-29;1-15-3-2-4-20-19(13-24-27(15)20)22(28)25-17-11-16-5-6-18(12-21(16)29-14-17)26-9-7-23-8-10-26/h6,8,10-11,17-19,29H,2-5,7,9,12-13,26H2,1H3,(H,30,32);3,5,9-10,16,27H,2,4,6-8,11-12,26H2,1H3,(H,30,32);4,6,12-13,17,25H,2-3,5,7-11,24H2,1H3,(H,28,30);2-6,12-13,17,23H,7-11,14H2,1H3,(H,25,28)/t17-,18?,19?;16-;2*17-/m0001/s1
• InChIKey: MTZUBLNOWFEZNE-SAEUFOIBSA-N
• XLogP: 10.57
• TPSA: 359.41 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 27
• Rotatable Bonds: 12
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1763.25
LogP ≤ 5	10.57
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[(2S)-6-(3,9-diazabicyclo[3.3.1]nonan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2S)-6-(1,4-diazepan-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2S)-6-(6,6-difluoro-1,4-diazepan-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?

The IUPAC name of 7-amino-N-[(2S)-6-(3,9-diazabicyclo[3.3.1]nonan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2S)-6-(1,4-diazepan-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2S)-6-(6,6-difluoro-1,4-diazepan-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 167623631) is 7-amino-N-[(2S)-6-(3,9-diazabicyclo[3.3.1]nonan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2S)-6-(1,4-diazepan-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2S)-6-(6,6-difluoro-1,4-diazepan-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyrazolo[1,5-a]pyridine-3-carboxamide.

What is the SMILES notation for 7-amino-N-[(2S)-6-(3,9-diazabicyclo[3.3.1]nonan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2S)-6-(1,4-diazepan-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2S)-6-(6,6-difluoro-1,4-diazepan-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?

The canonical SMILES for 7-amino-N-[(2S)-6-(3,9-diazabicyclo[3.3.1]nonan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2S)-6-(1,4-diazepan-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2S)-6-(6,6-difluoro-1,4-diazepan-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyrazolo[1,5-a]pyridine-3-carboxamide is Cc1cccc2c(C(=O)N[C@H]3COc4cc(N5CCNCC5)ccc4C3)cnn12.Cc1cnc2c(N)c(C(=O)N[C@H]3CCc4cc(N5CC6CCCC(C5)N6)ccc4C3)sc2n1.Cc1cnc2c(N)c(C(=O)N[C@H]3CCc4cc(N5CCCNCC5)ccc4C3)sc2n1.Cc1cnc2c(N)c(C(=O)N[C@H]3CCc4cc(N5CCNCC(F)(F)C5)ccc4C3)sc2n1.

What is the InChIKey of 7-amino-N-[(2S)-6-(3,9-diazabicyclo[3.3.1]nonan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2S)-6-(1,4-diazepan-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2S)-6-(6,6-difluoro-1,4-diazepan-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?

The InChIKey is MTZUBLNOWFEZNE-SAEUFOIBSA-N. The full InChI is InChI=1S/C25H30N6OS.C23H26F2N6OS.C23H28N6OS.C22H25N5O2/c1-14-11-27-22-21(26)23(33-25(22)28-14)24(32)30-17-7-5-16-10-20(8-6-15(16)9-17)31-12-18-3-2-4-19(13-31)29-18;1-13-10-28-19-18(26)20(33-22(19)29-13)21(32)30-16-4-2-15-9-17(5-3-14(15)8-16)31-7-6-27-11-23(24,25)12-31;1-14-13-26-20-19(24)21(31-23(20)27-14)22(30)28-17-5-3-16-12-18(6-4-15(16)11-17)29-9-2-7-25-8-10-29;1-15-3-2-4-20-19(13-24-27(15)20)22(28)25-17-11-16-5-6-18(12-21(16)29-14-17)26-9-7-23-8-10-26/h6,8,10-11,17-19,29H,2-5,7,9,12-13,26H2,1H3,(H,30,32);3,5,9-10,16,27H,2,4,6-8,11-12,26H2,1H3,(H,30,32);4,6,12-13,17,25H,2-3,5,7-11,24H2,1H3,(H,28,30);2-6,12-13,17,23H,7-11,14H2,1H3,(H,25,28)/t17-,18?,19?;16-;2*17-/m0001/s1.

What are the key properties of 7-amino-N-[(2S)-6-(3,9-diazabicyclo[3.3.1]nonan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2S)-6-(1,4-diazepan-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2S)-6-(6,6-difluoro-1,4-diazepan-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?

7-amino-N-[(2S)-6-(3,9-diazabicyclo[3.3.1]nonan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2S)-6-(1,4-diazepan-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2S)-6-(6,6-difluoro-1,4-diazepan-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 1763.25 g/mol, XLogP of 10.57, 12 rotatable bonds, 11 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 7-amino-N-[(2S)-6-(3,9-diazabicyclo[3.3.1]nonan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2S)-6-(1,4-diazepan-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2S)-6-(6,6-difluoro-1,4-diazepan-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 167623631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).