(Z)-3-imino-2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]prop-1-en-1-amine

C19H19F3N8 — CID 139357601

About (Z)-3-imino-2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]prop-1-en-1-amine

(Z)-3-imino-2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]prop-1-en-1-amine (PubChem CID 139357601) has the molecular formula C19H19F3N8 and a molecular weight of 416.41 g/mol. Its IUPAC name is (Z)-3-imino-2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]prop-1-en-1-amine.

Molecular Properties

• Compound Name: (Z)-3-imino-2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]prop-1-en-1-amine
• PubChem CID: 139357601
• Molecular Formula: C19H19F3N8
• Molecular Weight: 416.41 g/mol
• Exact Mass: 416.17
• IUPAC Name: (Z)-3-imino-2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]prop-1-en-1-amine
• SMILES: [H]/N=C/C(=C\N)C1CCCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1
• InChI: InChI=1S/C19H19F3N8/c20-19(21,22)15-11-30-14(8-27-17(30)9-26-15)18-25-4-3-16(28-18)29-5-1-2-12(10-29)13(6-23)7-24/h3-4,6-9,11-12,23H,1-2,5,10,24H2/b13-7+,23-6+
• InChIKey: RNZKMTCYPTYUOU-UHRNJYOOSA-N
• XLogP: 2.91
• TPSA: 109.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.41
LogP ≤ 5	2.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (Z)-3-imino-2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]prop-1-en-1-amine?

The IUPAC name of (Z)-3-imino-2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]prop-1-en-1-amine (CID 139357601) is (Z)-3-imino-2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]prop-1-en-1-amine.

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

The canonical SMILES for (Z)-3-imino-2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]prop-1-en-1-amine is [H]/N=C/C(=C\N)C1CCCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1.

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

The InChIKey is RNZKMTCYPTYUOU-UHRNJYOOSA-N. The full InChI is InChI=1S/C19H19F3N8/c20-19(21,22)15-11-30-14(8-27-17(30)9-26-15)18-25-4-3-16(28-18)29-5-1-2-12(10-29)13(6-23)7-24/h3-4,6-9,11-12,23H,1-2,5,10,24H2/b13-7+,23-6+.

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

(Z)-3-imino-2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]prop-1-en-1-amine has a molecular weight of 416.41 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-3-imino-2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]prop-1-en-1-amine is sourced from PubChem (CID 139357601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).