7-amino-3-methyl-N-[6-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]thieno[2,3-b]pyrazine-6-carboxamide

C24H28N6O2S — CID 142528435

About 7-amino-3-methyl-N-[6-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]thieno[2,3-b]pyrazine-6-carboxamide

7-amino-3-methyl-N-[6-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]thieno[2,3-b]pyrazine-6-carboxamide (PubChem CID 142528435) has the molecular formula C24H28N6O2S and a molecular weight of 464.60 g/mol. Its IUPAC name is 7-amino-3-methyl-N-[6-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-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-[6-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]thieno[2,3-b]pyrazine-6-carboxamide
• PubChem CID: 142528435
• Molecular Formula: C24H28N6O2S
• Molecular Weight: 464.60 g/mol
• Exact Mass: 464.20
• IUPAC Name: 7-amino-3-methyl-N-[6-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]thieno[2,3-b]pyrazine-6-carboxamide
• SMILES: Cc1cnc2c(N)c(C(=O)NC3CCc4cc(N5CC6CNCC(C5)O6)ccc4C3)sc2n1
• InChI: InChI=1S/C24H28N6O2S/c1-13-8-27-21-20(25)22(33-24(21)28-13)23(31)29-16-4-2-15-7-17(5-3-14(15)6-16)30-11-18-9-26-10-19(12-30)32-18/h3,5,7-8,16,18-19,26H,2,4,6,9-12,25H2,1H3,(H,29,31)
• InChIKey: JEVPVENXSWEUOW-UHFFFAOYSA-N
• XLogP: 2.05
• TPSA: 105.40 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.60
LogP ≤ 5	2.05
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

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-[6-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-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-[6-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]thieno[2,3-b]pyrazine-6-carboxamide (CID 142528435) is 7-amino-3-methyl-N-[6-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-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-[6-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-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-[6-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]thieno[2,3-b]pyrazine-6-carboxamide is Cc1cnc2c(N)c(C(=O)NC3CCc4cc(N5CC6CNCC(C5)O6)ccc4C3)sc2n1.

What is the InChIKey of 7-amino-3-methyl-N-[6-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]thieno[2,3-b]pyrazine-6-carboxamide?

The InChIKey is JEVPVENXSWEUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2S/c1-13-8-27-21-20(25)22(33-24(21)28-13)23(31)29-16-4-2-15-7-17(5-3-14(15)6-16)30-11-18-9-26-10-19(12-30)32-18/h3,5,7-8,16,18-19,26H,2,4,6,9-12,25H2,1H3,(H,29,31).

What are the key properties of 7-amino-3-methyl-N-[6-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]thieno[2,3-b]pyrazine-6-carboxamide?

7-amino-3-methyl-N-[6-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]thieno[2,3-b]pyrazine-6-carboxamide has a molecular weight of 464.60 g/mol, XLogP of 2.05, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-amino-3-methyl-N-[6-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]thieno[2,3-b]pyrazine-6-carboxamide is sourced from PubChem (CID 142528435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).