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

C23H28N6OS — CID 137489594

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

7-amino-3-methyl-N-[(2S)-7-methyl-6-piperazin-1-yl-1,2,3,4-tetrahydronaphthalen-2-yl]thieno[2,3-b]pyrazine-6-carboxamide (PubChem CID 137489594) has the molecular formula C23H28N6OS and a molecular weight of 436.59 g/mol. Its IUPAC name is 7-amino-3-methyl-N-[(2S)-7-methyl-6-piperazin-1-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)-7-methyl-6-piperazin-1-yl-1,2,3,4-tetrahydronaphthalen-2-yl]thieno[2,3-b]pyrazine-6-carboxamide
• PubChem CID: 137489594
• Molecular Formula: C23H28N6OS
• Molecular Weight: 436.59 g/mol
• Exact Mass: 436.20
• IUPAC Name: 7-amino-3-methyl-N-[(2S)-7-methyl-6-piperazin-1-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(N5CCNCC5)c(C)cc4C3)sc2n1
• InChI: InChI=1S/C23H28N6OS/c1-13-9-16-10-17(4-3-15(16)11-18(13)29-7-5-25-6-8-29)28-22(30)21-19(24)20-23(31-21)27-14(2)12-26-20/h9,11-12,17,25H,3-8,10,24H2,1-2H3,(H,28,30)/t17-/m0/s1
• InChIKey: WYPYHCMRHYCBLF-KRWDZBQOSA-N
• XLogP: 2.59
• TPSA: 96.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.59
LogP ≤ 5	2.59
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-amino-3-methyl-N-[(2S)-7-methyl-6-piperazin-1-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)-7-methyl-6-piperazin-1-yl-1,2,3,4-tetrahydronaphthalen-2-yl]thieno[2,3-b]pyrazine-6-carboxamide (CID 137489594) is 7-amino-3-methyl-N-[(2S)-7-methyl-6-piperazin-1-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)-7-methyl-6-piperazin-1-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)-7-methyl-6-piperazin-1-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(N5CCNCC5)c(C)cc4C3)sc2n1.

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

The InChIKey is WYPYHCMRHYCBLF-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H28N6OS/c1-13-9-16-10-17(4-3-15(16)11-18(13)29-7-5-25-6-8-29)28-22(30)21-19(24)20-23(31-21)27-14(2)12-26-20/h9,11-12,17,25H,3-8,10,24H2,1-2H3,(H,28,30)/t17-/m0/s1.

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

7-amino-3-methyl-N-[(2S)-7-methyl-6-piperazin-1-yl-1,2,3,4-tetrahydronaphthalen-2-yl]thieno[2,3-b]pyrazine-6-carboxamide has a molecular weight of 436.59 g/mol, XLogP of 2.59, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-amino-3-methyl-N-[(2S)-7-methyl-6-piperazin-1-yl-1,2,3,4-tetrahydronaphthalen-2-yl]thieno[2,3-b]pyrazine-6-carboxamide is sourced from PubChem (CID 137489594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).