ZASSANKEBPUXDK-RISCZKNCSA-N

Name: ZASSANKEBPUXDK-RISCZKNCSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₉H₁₇F₃N₈O — CID 152617043

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC(2R,6R)-2-methyl-6-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine

SMILESC[C@@H]1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C[C@@H](c2cn[nH]c2)O1

InChIInChI=1S/C19H17F3N8O/c1-11-8-29(9-14(31-11)12-4-26-27-5-12)16-2-3-23-18(28-16)13-6-25-17-7-24-15(10-30(13)17)19(20,21)22/h2-7,10-11,14H,8-9H2,1H3,(H,26,27)/t11-,14+/m1/s1

InChIKeyZASSANKEBPUXDK-RISCZKNCSA-N

MW430.39 g/mol

LogP2.89

Rot. Bonds3

About ZASSANKEBPUXDK-RISCZKNCSA-N

ZASSANKEBPUXDK-RISCZKNCSA-N (PubChem CID 152617043) has the molecular formula C₁₉H₁₇F₃N₈O and a molecular weight of 430.39 g/mol. Its IUPAC name is (2R,6R)-2-methyl-6-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name	ZASSANKEBPUXDK-RISCZKNCSA-N
PubChem CID	152617043
Molecular Formula	C₁₉H₁₇F₃N₈O
Molecular Weight	430.39 g/mol
Exact Mass	430.15
IUPAC Name	(2R,6R)-2-methyl-6-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine
SMILES	C[C@@H]1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C[C@@H](c2cn[nH]c2)O1
InChI	InChI=1S/C19H17F3N8O/c1-11-8-29(9-14(31-11)12-4-26-27-5-12)16-2-3-23-18(28-16)13-6-25-17-7-24-15(10-30(13)17)19(20,21)22/h2-7,10-11,14H,8-9H2,1H3,(H,26,27)/t11-,14+/m1/s1
InChIKey	ZASSANKEBPUXDK-RISCZKNCSA-N
XLogP	2.89
TPSA	97.12 Å²
H-Bond Donors	1
H-Bond Acceptors	8
Rotatable Bonds	3
Heavy Atoms	31
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.39
LogP ≤ 5	2.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of ZASSANKEBPUXDK-RISCZKNCSA-N?

The IUPAC name of ZASSANKEBPUXDK-RISCZKNCSA-N (CID 152617043) is (2R,6R)-2-methyl-6-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine.

What is the SMILES notation for ZASSANKEBPUXDK-RISCZKNCSA-N?

The canonical SMILES for ZASSANKEBPUXDK-RISCZKNCSA-N is C[C@@H]1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C[C@@H](c2cn[nH]c2)O1.

What is the InChIKey of ZASSANKEBPUXDK-RISCZKNCSA-N?

The InChIKey is ZASSANKEBPUXDK-RISCZKNCSA-N. The full InChI is InChI=1S/C19H17F3N8O/c1-11-8-29(9-14(31-11)12-4-26-27-5-12)16-2-3-23-18(28-16)13-6-25-17-7-24-15(10-30(13)17)19(20,21)22/h2-7,10-11,14H,8-9H2,1H3,(H,26,27)/t11-,14+/m1/s1.

What are the key properties of ZASSANKEBPUXDK-RISCZKNCSA-N?

ZASSANKEBPUXDK-RISCZKNCSA-N has a molecular weight of 430.39 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ZASSANKEBPUXDK-RISCZKNCSA-N is sourced from PubChem (CID 152617043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 152617043 — identifiers, structure, computed properties (public domain)

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