7-amino-3-methyl-N-[(2S)-6-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]thieno[2,3-b]pyrazine-6-carboxamide

C25H30N6OS — CID 137489689

About 7-amino-3-methyl-N-[(2S)-6-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]thieno[2,3-b]pyrazine-6-carboxamide

7-amino-3-methyl-N-[(2S)-6-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]thieno[2,3-b]pyrazine-6-carboxamide (PubChem CID 137489689) has the molecular formula C25H30N6OS and a molecular weight of 462.62 g/mol. Its IUPAC name is 7-amino-3-methyl-N-[(2S)-6-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]thieno[2,3-b]pyrazine-6-carboxamide.

Molecular Properties

• Compound Name: 7-amino-3-methyl-N-[(2S)-6-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]thieno[2,3-b]pyrazine-6-carboxamide
• PubChem CID: 137489689
• Molecular Formula: C25H30N6OS
• Molecular Weight: 462.62 g/mol
• Exact Mass: 462.22
• IUPAC Name: 7-amino-3-methyl-N-[(2S)-6-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]thieno[2,3-b]pyrazine-6-carboxamide
• SMILES: Cc1cnc2c(N)c(C(=O)N[C@H]3CCc4cc(N5CC6CCC(C5)N6C)ccc4C3)sc2n1
• InChI: InChI=1S/C25H30N6OS/c1-14-11-27-22-21(26)23(33-25(22)28-14)24(32)29-17-5-3-16-10-18(6-4-15(16)9-17)31-12-19-7-8-20(13-31)30(19)2/h4,6,10-11,17,19-20H,3,5,7-9,12-13,26H2,1-2H3,(H,29,32)/t17-,19?,20?/m0/s1
• InChIKey: OXCUVRVTXSMDLW-KKXNLOMOSA-N
• XLogP: 3.15
• TPSA: 87.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.62
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

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-3-methyl-N-[(2S)-6-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]thieno[2,3-b]pyrazine-6-carboxamide?

The IUPAC name of 7-amino-3-methyl-N-[(2S)-6-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]thieno[2,3-b]pyrazine-6-carboxamide (CID 137489689) is 7-amino-3-methyl-N-[(2S)-6-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]thieno[2,3-b]pyrazine-6-carboxamide.

What is the SMILES notation for 7-amino-3-methyl-N-[(2S)-6-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]thieno[2,3-b]pyrazine-6-carboxamide?

The canonical SMILES for 7-amino-3-methyl-N-[(2S)-6-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]thieno[2,3-b]pyrazine-6-carboxamide is Cc1cnc2c(N)c(C(=O)N[C@H]3CCc4cc(N5CC6CCC(C5)N6C)ccc4C3)sc2n1.

What is the InChIKey of 7-amino-3-methyl-N-[(2S)-6-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]thieno[2,3-b]pyrazine-6-carboxamide?

The InChIKey is OXCUVRVTXSMDLW-KKXNLOMOSA-N. The full InChI is InChI=1S/C25H30N6OS/c1-14-11-27-22-21(26)23(33-25(22)28-14)24(32)29-17-5-3-16-10-18(6-4-15(16)9-17)31-12-19-7-8-20(13-31)30(19)2/h4,6,10-11,17,19-20H,3,5,7-9,12-13,26H2,1-2H3,(H,29,32)/t17-,19?,20?/m0/s1.

What are the key properties of 7-amino-3-methyl-N-[(2S)-6-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]thieno[2,3-b]pyrazine-6-carboxamide?

7-amino-3-methyl-N-[(2S)-6-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]thieno[2,3-b]pyrazine-6-carboxamide has a molecular weight of 462.62 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-amino-3-methyl-N-[(2S)-6-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]thieno[2,3-b]pyrazine-6-carboxamide is sourced from PubChem (CID 137489689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).