3-[[(2S)-2-(methoxymethyl)-2-methylpiperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine

C22H28N8OS — CID 25145420

About 3-[[(2S)-2-(methoxymethyl)-2-methylpiperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine

3-[[(2S)-2-(methoxymethyl)-2-methylpiperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine (PubChem CID 25145420) has the molecular formula C22H28N8OS and a molecular weight of 452.59 g/mol. Its IUPAC name is 3-[[(2S)-2-(methoxymethyl)-2-methylpiperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine.

Molecular Properties

• Compound Name: 3-[[(2S)-2-(methoxymethyl)-2-methylpiperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
• PubChem CID: 25145420
• Molecular Formula: C22H28N8OS
• Molecular Weight: 452.59 g/mol
• Exact Mass: 452.21
• IUPAC Name: 3-[[(2S)-2-(methoxymethyl)-2-methylpiperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
• SMILES: COC[C@]1(C)CCCCN1Cc1cc(Nc2nc(C)cn3c(-c4cn[nH]c4)cnc23)sn1
• InChI: InChI=1S/C22H28N8OS/c1-15-12-30-18(16-9-24-25-10-16)11-23-21(30)20(26-15)27-19-8-17(28-32-19)13-29-7-5-4-6-22(29,2)14-31-3/h8-12H,4-7,13-14H2,1-3H3,(H,24,25)(H,26,27)/t22-/m0/s1
• InChIKey: CTPRSLZUIGQNOM-QFIPXVFZSA-N
• XLogP: 4.02
• TPSA: 96.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.59
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-2-(methoxymethyl)-2-methylpiperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?

The IUPAC name of 3-[[(2S)-2-(methoxymethyl)-2-methylpiperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine (CID 25145420) is 3-[[(2S)-2-(methoxymethyl)-2-methylpiperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine.

What is the SMILES notation for 3-[[(2S)-2-(methoxymethyl)-2-methylpiperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?

The canonical SMILES for 3-[[(2S)-2-(methoxymethyl)-2-methylpiperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine is COC[C@]1(C)CCCCN1Cc1cc(Nc2nc(C)cn3c(-c4cn[nH]c4)cnc23)sn1.

What is the InChIKey of 3-[[(2S)-2-(methoxymethyl)-2-methylpiperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?

The InChIKey is CTPRSLZUIGQNOM-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H28N8OS/c1-15-12-30-18(16-9-24-25-10-16)11-23-21(30)20(26-15)27-19-8-17(28-32-19)13-29-7-5-4-6-22(29,2)14-31-3/h8-12H,4-7,13-14H2,1-3H3,(H,24,25)(H,26,27)/t22-/m0/s1.

What are the key properties of 3-[[(2S)-2-(methoxymethyl)-2-methylpiperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?

3-[[(2S)-2-(methoxymethyl)-2-methylpiperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine has a molecular weight of 452.59 g/mol, XLogP of 4.02, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[(2S)-2-(methoxymethyl)-2-methylpiperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine is sourced from PubChem (CID 25145420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).