1-(2-methoxyphenyl)-N-methylmethanamine;2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetaldehyde

C31H39N9O2S — CID 143756242

About 1-(2-methoxyphenyl)-N-methylmethanamine;2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetaldehyde

1-(2-methoxyphenyl)-N-methylmethanamine;2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetaldehyde (PubChem CID 143756242) has the molecular formula C31H39N9O2S and a molecular weight of 601.78 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-methylmethanamine;2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetaldehyde.

Molecular Properties

• Compound Name: 1-(2-methoxyphenyl)-N-methylmethanamine;2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetaldehyde
• PubChem CID: 143756242
• Molecular Formula: C31H39N9O2S
• Molecular Weight: 601.78 g/mol
• Exact Mass: 601.29
• IUPAC Name: 1-(2-methoxyphenyl)-N-methylmethanamine;2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetaldehyde
• SMILES: CNCc1ccccc1OC.Cc1cn2c(-c3cnn(CC=O)c3)cnc2c(Nc2cc(CN3CCCC(C)C3)ns2)n1
• InChI: InChI=1S/C22H26N8OS.C9H13NO/c1-15-4-3-5-28(11-15)14-18-8-20(32-27-18)26-21-22-23-10-19(30(22)12-16(2)25-21)17-9-24-29(13-17)6-7-31;1-10-7-8-5-3-4-6-9(8)11-2/h7-10,12-13,15H,3-6,11,14H2,1-2H3,(H,25,26);3-6,10H,7H2,1-2H3
• InChIKey: ADZGSJGVZCXYCV-UHFFFAOYSA-N
• XLogP: 4.95
• TPSA: 114.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	601.78
LogP ≤ 5	4.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-methylmethanamine;2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetaldehyde?

The IUPAC name of 1-(2-methoxyphenyl)-N-methylmethanamine;2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetaldehyde (CID 143756242) is 1-(2-methoxyphenyl)-N-methylmethanamine;2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetaldehyde.

What is the SMILES notation for 1-(2-methoxyphenyl)-N-methylmethanamine;2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetaldehyde?

The canonical SMILES for 1-(2-methoxyphenyl)-N-methylmethanamine;2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetaldehyde is CNCc1ccccc1OC.Cc1cn2c(-c3cnn(CC=O)c3)cnc2c(Nc2cc(CN3CCCC(C)C3)ns2)n1.

What is the InChIKey of 1-(2-methoxyphenyl)-N-methylmethanamine;2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetaldehyde?

The InChIKey is ADZGSJGVZCXYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N8OS.C9H13NO/c1-15-4-3-5-28(11-15)14-18-8-20(32-27-18)26-21-22-23-10-19(30(22)12-16(2)25-21)17-9-24-29(13-17)6-7-31;1-10-7-8-5-3-4-6-9(8)11-2/h7-10,12-13,15H,3-6,11,14H2,1-2H3,(H,25,26);3-6,10H,7H2,1-2H3.

What are the key properties of 1-(2-methoxyphenyl)-N-methylmethanamine;2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetaldehyde?

1-(2-methoxyphenyl)-N-methylmethanamine;2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetaldehyde has a molecular weight of 601.78 g/mol, XLogP of 4.95, 10 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-methoxyphenyl)-N-methylmethanamine;2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetaldehyde is sourced from PubChem (CID 143756242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).