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

C19H19F3N8O — CID 139357537

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

3-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-4-ol (PubChem CID 139357537) has the molecular formula C19H19F3N8O and a molecular weight of 432.41 g/mol. Its IUPAC name is 3-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-4-ol.

Molecular Properties

• Compound Name: 3-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-4-ol
• PubChem CID: 139357537
• Molecular Formula: C19H19F3N8O
• Molecular Weight: 432.41 g/mol
• Exact Mass: 432.16
• IUPAC Name: 3-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-4-ol
• SMILES: [H]/N=C/C(=C\N)C1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)CCC1O
• InChI: InChI=1S/C19H19F3N8O/c20-19(21,22)15-10-30-13(7-27-17(30)8-26-15)18-25-3-1-16(28-18)29-4-2-14(31)12(9-29)11(5-23)6-24/h1,3,5-8,10,12,14,23,31H,2,4,9,24H2/b11-6+,23-5+
• InChIKey: MNVRQOPXFSNLNF-VFWGZNIQSA-N
• XLogP: 1.88
• TPSA: 129.31 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.41
LogP ≤ 5	1.88
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 3-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-4-ol?

The IUPAC name of 3-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-4-ol (CID 139357537) is 3-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-4-ol.

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

The canonical SMILES for 3-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-4-ol is [H]/N=C/C(=C\N)C1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)CCC1O.

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

The InChIKey is MNVRQOPXFSNLNF-VFWGZNIQSA-N. The full InChI is InChI=1S/C19H19F3N8O/c20-19(21,22)15-10-30-13(7-27-17(30)8-26-15)18-25-3-1-16(28-18)29-4-2-14(31)12(9-29)11(5-23)6-24/h1,3,5-8,10,12,14,23,31H,2,4,9,24H2/b11-6+,23-5+.

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

3-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-4-ol has a molecular weight of 432.41 g/mol, XLogP of 1.88, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-4-ol is sourced from PubChem (CID 139357537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).