[5-(1-amino-3-iminoprop-1-en-2-yl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanol

C20H21F3N8O — CID 149420983

About [5-(1-amino-3-iminoprop-1-en-2-yl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanol

[5-(1-amino-3-iminoprop-1-en-2-yl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanol (PubChem CID 149420983) has the molecular formula C20H21F3N8O and a molecular weight of 446.44 g/mol. Its IUPAC name is [5-(1-amino-3-iminoprop-1-en-2-yl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanol.

Molecular Properties

• Compound Name: [5-(1-amino-3-iminoprop-1-en-2-yl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanol
• PubChem CID: 149420983
• Molecular Formula: C20H21F3N8O
• Molecular Weight: 446.44 g/mol
• Exact Mass: 446.18
• IUPAC Name: [5-(1-amino-3-iminoprop-1-en-2-yl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanol
• SMILES: [H]/N=C/C(=CN)C1CC(CO)CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1
• InChI: InChI=1S/C20H21F3N8O/c21-20(22,23)16-10-31-15(6-28-18(31)7-27-16)19-26-2-1-17(29-19)30-8-12(11-32)3-13(9-30)14(4-24)5-25/h1-2,4-7,10,12-13,24,32H,3,8-9,11,25H2/b14-5?,24-4+
• InChIKey: YTDNLBPLUFAJIF-APYFNQFLSA-N
• XLogP: 2.13
• TPSA: 129.31 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.44
LogP ≤ 5	2.13
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [5-(1-amino-3-iminoprop-1-en-2-yl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanol?

The IUPAC name of [5-(1-amino-3-iminoprop-1-en-2-yl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanol (CID 149420983) is [5-(1-amino-3-iminoprop-1-en-2-yl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanol.

What is the SMILES notation for [5-(1-amino-3-iminoprop-1-en-2-yl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanol?

The canonical SMILES for [5-(1-amino-3-iminoprop-1-en-2-yl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanol is [H]/N=C/C(=CN)C1CC(CO)CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1.

What is the InChIKey of [5-(1-amino-3-iminoprop-1-en-2-yl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanol?

The InChIKey is YTDNLBPLUFAJIF-APYFNQFLSA-N. The full InChI is InChI=1S/C20H21F3N8O/c21-20(22,23)16-10-31-15(6-28-18(31)7-27-16)19-26-2-1-17(29-19)30-8-12(11-32)3-13(9-30)14(4-24)5-25/h1-2,4-7,10,12-13,24,32H,3,8-9,11,25H2/b14-5?,24-4+.

What are the key properties of [5-(1-amino-3-iminoprop-1-en-2-yl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanol?

[5-(1-amino-3-iminoprop-1-en-2-yl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanol has a molecular weight of 446.44 g/mol, XLogP of 2.13, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [5-(1-amino-3-iminoprop-1-en-2-yl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanol is sourced from PubChem (CID 149420983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).