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

C23H28F2N8OS — CID 71044915

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

N-[6-(1,1-difluoroethyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[[3-(methoxymethyl)-3-methylpiperidin-1-yl]methyl]-1,2-thiazol-5-amine (PubChem CID 71044915) has the molecular formula C23H28F2N8OS and a molecular weight of 502.60 g/mol. Its IUPAC name is N-[6-(1,1-difluoroethyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[[3-(methoxymethyl)-3-methylpiperidin-1-yl]methyl]-1,2-thiazol-5-amine.

Molecular Properties

• Compound Name: N-[6-(1,1-difluoroethyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[[3-(methoxymethyl)-3-methylpiperidin-1-yl]methyl]-1,2-thiazol-5-amine
• PubChem CID: 71044915
• Molecular Formula: C23H28F2N8OS
• Molecular Weight: 502.60 g/mol
• Exact Mass: 502.21
• IUPAC Name: N-[6-(1,1-difluoroethyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[[3-(methoxymethyl)-3-methylpiperidin-1-yl]methyl]-1,2-thiazol-5-amine
• SMILES: COCC1(C)CCCN(Cc2cc(Nc3nc(C(C)(F)F)cn4c(-c5cn[nH]c5)cnc34)sn2)C1
• InChI: InChI=1S/C23H28F2N8OS/c1-22(14-34-3)5-4-6-32(13-22)11-16-7-19(35-31-16)30-20-21-26-10-17(15-8-27-28-9-15)33(21)12-18(29-20)23(2,24)25/h7-10,12H,4-6,11,13-14H2,1-3H3,(H,27,28)(H,29,30)
• InChIKey: JMGIEQXAMWPCQB-UHFFFAOYSA-N
• XLogP: 4.68
• TPSA: 96.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.60
LogP ≤ 5	4.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of N-[6-(1,1-difluoroethyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[[3-(methoxymethyl)-3-methylpiperidin-1-yl]methyl]-1,2-thiazol-5-amine (CID 71044915) is N-[6-(1,1-difluoroethyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[[3-(methoxymethyl)-3-methylpiperidin-1-yl]methyl]-1,2-thiazol-5-amine.

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

The canonical SMILES for N-[6-(1,1-difluoroethyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[[3-(methoxymethyl)-3-methylpiperidin-1-yl]methyl]-1,2-thiazol-5-amine is COCC1(C)CCCN(Cc2cc(Nc3nc(C(C)(F)F)cn4c(-c5cn[nH]c5)cnc34)sn2)C1.

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

The InChIKey is JMGIEQXAMWPCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F2N8OS/c1-22(14-34-3)5-4-6-32(13-22)11-16-7-19(35-31-16)30-20-21-26-10-17(15-8-27-28-9-15)33(21)12-18(29-20)23(2,24)25/h7-10,12H,4-6,11,13-14H2,1-3H3,(H,27,28)(H,29,30).

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

N-[6-(1,1-difluoroethyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[[3-(methoxymethyl)-3-methylpiperidin-1-yl]methyl]-1,2-thiazol-5-amine has a molecular weight of 502.60 g/mol, XLogP of 4.68, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(1,1-difluoroethyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[[3-(methoxymethyl)-3-methylpiperidin-1-yl]methyl]-1,2-thiazol-5-amine is sourced from PubChem (CID 71044915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).