N-[7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-3-methyl-7-(methylamino)thieno[2,3-b]pyrazine-6-carboxamide

C24H28N6O2S — CID 164809932

About N-[7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-3-methyl-7-(methylamino)thieno[2,3-b]pyrazine-6-carboxamide

N-[7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-3-methyl-7-(methylamino)thieno[2,3-b]pyrazine-6-carboxamide (PubChem CID 164809932) has the molecular formula C24H28N6O2S and a molecular weight of 464.60 g/mol. Its IUPAC name is N-[7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-3-methyl-7-(methylamino)thieno[2,3-b]pyrazine-6-carboxamide.

Molecular Properties

• Compound Name: N-[7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-3-methyl-7-(methylamino)thieno[2,3-b]pyrazine-6-carboxamide
• PubChem CID: 164809932
• Molecular Formula: C24H28N6O2S
• Molecular Weight: 464.60 g/mol
• Exact Mass: 464.20
• IUPAC Name: N-[7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-3-methyl-7-(methylamino)thieno[2,3-b]pyrazine-6-carboxamide
• SMILES: CNc1c(C(=O)NC2COc3cc(N4CC5CCC(C4)N5)ccc3C2)sc2nc(C)cnc12
• InChI: InChI=1S/C24H28N6O2S/c1-13-9-26-21-20(25-2)22(33-24(21)27-13)23(31)29-17-7-14-3-6-18(8-19(14)32-12-17)30-10-15-4-5-16(11-30)28-15/h3,6,8-9,15-17,25,28H,4-5,7,10-12H2,1-2H3,(H,29,31)
• InChIKey: CLJXZPSUPLYKLW-UHFFFAOYSA-N
• XLogP: 2.72
• TPSA: 91.41 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.60
LogP ≤ 5	2.72
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-3-methyl-7-(methylamino)thieno[2,3-b]pyrazine-6-carboxamide?

The IUPAC name of N-[7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-3-methyl-7-(methylamino)thieno[2,3-b]pyrazine-6-carboxamide (CID 164809932) is N-[7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-3-methyl-7-(methylamino)thieno[2,3-b]pyrazine-6-carboxamide.

What is the SMILES notation for N-[7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-3-methyl-7-(methylamino)thieno[2,3-b]pyrazine-6-carboxamide?

The canonical SMILES for N-[7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-3-methyl-7-(methylamino)thieno[2,3-b]pyrazine-6-carboxamide is CNc1c(C(=O)NC2COc3cc(N4CC5CCC(C4)N5)ccc3C2)sc2nc(C)cnc12.

What is the InChIKey of N-[7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-3-methyl-7-(methylamino)thieno[2,3-b]pyrazine-6-carboxamide?

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

What are the key properties of N-[7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-3-methyl-7-(methylamino)thieno[2,3-b]pyrazine-6-carboxamide?

N-[7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-3-methyl-7-(methylamino)thieno[2,3-b]pyrazine-6-carboxamide has a molecular weight of 464.60 g/mol, XLogP of 2.72, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-3-methyl-7-(methylamino)thieno[2,3-b]pyrazine-6-carboxamide is sourced from PubChem (CID 164809932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).