[1-[[5-[[6-(1,1-difluoroethyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl-ethylamino]cyclopentyl]methanol

C23H28F2N8OS — CID 71044916

About [1-[[5-[[6-(1,1-difluoroethyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl-ethylamino]cyclopentyl]methanol

[1-[[5-[[6-(1,1-difluoroethyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl-ethylamino]cyclopentyl]methanol (PubChem CID 71044916) has the molecular formula C23H28F2N8OS and a molecular weight of 502.60 g/mol. Its IUPAC name is [1-[[5-[[6-(1,1-difluoroethyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl-ethylamino]cyclopentyl]methanol.

Molecular Properties

• Compound Name: [1-[[5-[[6-(1,1-difluoroethyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl-ethylamino]cyclopentyl]methanol
• PubChem CID: 71044916
• Molecular Formula: C23H28F2N8OS
• Molecular Weight: 502.60 g/mol
• Exact Mass: 502.21
• IUPAC Name: [1-[[5-[[6-(1,1-difluoroethyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl-ethylamino]cyclopentyl]methanol
• SMILES: CCN(Cc1cc(Nc2nc(C(C)(F)F)cn3c(-c4cn[nH]c4)cnc23)sn1)C1(CO)CCCC1
• InChI: InChI=1S/C23H28F2N8OS/c1-3-32(23(14-34)6-4-5-7-23)12-16-8-19(35-31-16)30-20-21-26-11-17(15-9-27-28-10-15)33(21)13-18(29-20)22(2,24)25/h8-11,13,34H,3-7,12,14H2,1-2H3,(H,27,28)(H,29,30)
• InChIKey: NYJARZHCSXLHOH-UHFFFAOYSA-N
• XLogP: 4.56
• TPSA: 107.26 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.60
LogP ≤ 5	4.56
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of [1-[[5-[[6-(1,1-difluoroethyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl-ethylamino]cyclopentyl]methanol?

The IUPAC name of [1-[[5-[[6-(1,1-difluoroethyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl-ethylamino]cyclopentyl]methanol (CID 71044916) is [1-[[5-[[6-(1,1-difluoroethyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl-ethylamino]cyclopentyl]methanol.

What is the SMILES notation for [1-[[5-[[6-(1,1-difluoroethyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl-ethylamino]cyclopentyl]methanol?

The canonical SMILES for [1-[[5-[[6-(1,1-difluoroethyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl-ethylamino]cyclopentyl]methanol is CCN(Cc1cc(Nc2nc(C(C)(F)F)cn3c(-c4cn[nH]c4)cnc23)sn1)C1(CO)CCCC1.

What is the InChIKey of [1-[[5-[[6-(1,1-difluoroethyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl-ethylamino]cyclopentyl]methanol?

The InChIKey is NYJARZHCSXLHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F2N8OS/c1-3-32(23(14-34)6-4-5-7-23)12-16-8-19(35-31-16)30-20-21-26-11-17(15-9-27-28-10-15)33(21)13-18(29-20)22(2,24)25/h8-11,13,34H,3-7,12,14H2,1-2H3,(H,27,28)(H,29,30).

What are the key properties of [1-[[5-[[6-(1,1-difluoroethyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl-ethylamino]cyclopentyl]methanol?

[1-[[5-[[6-(1,1-difluoroethyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl-ethylamino]cyclopentyl]methanol has a molecular weight of 502.60 g/mol, XLogP of 4.56, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[[5-[[6-(1,1-difluoroethyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl-ethylamino]cyclopentyl]methanol is sourced from PubChem (CID 71044916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).