WWGPBAPYJSIUAN-UHFFFAOYSA-N

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

C₂₀H₁₉F₃N₆O₂ — CID 138562721

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

IUPAC2-[3-[8-amino-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol

SMILESCc1ccc(C(O)(CO)C(F)(F)F)cc1-c1cnc2c(N)nc(-c3cnn(C)c3)cn12

InChIInChI=1S/C20H19F3N6O2/c1-11-3-4-13(19(31,10-30)20(21,22)23)5-14(11)16-7-25-18-17(24)27-15(9-29(16)18)12-6-26-28(2)8-12/h3-9,30-31H,10H2,1-2H3,(H2,24,27)

InChIKeyWWGPBAPYJSIUAN-UHFFFAOYSA-N

MW432.41 g/mol

LogP2.43

Rot. Bonds4

About WWGPBAPYJSIUAN-UHFFFAOYSA-N

WWGPBAPYJSIUAN-UHFFFAOYSA-N (PubChem CID 138562721) has the molecular formula C₂₀H₁₉F₃N₆O₂ and a molecular weight of 432.41 g/mol. Its IUPAC name is 2-[3-[8-amino-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol.

Molecular Properties

Compound Name	WWGPBAPYJSIUAN-UHFFFAOYSA-N
PubChem CID	138562721
Molecular Formula	C₂₀H₁₉F₃N₆O₂
Molecular Weight	432.41 g/mol
Exact Mass	432.15
IUPAC Name	2-[3-[8-amino-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol
SMILES	Cc1ccc(C(O)(CO)C(F)(F)F)cc1-c1cnc2c(N)nc(-c3cnn(C)c3)cn12
InChI	InChI=1S/C20H19F3N6O2/c1-11-3-4-13(19(31,10-30)20(21,22)23)5-14(11)16-7-25-18-17(24)27-15(9-29(16)18)12-6-26-28(2)8-12/h3-9,30-31H,10H2,1-2H3,(H2,24,27)
InChIKey	WWGPBAPYJSIUAN-UHFFFAOYSA-N
XLogP	2.43
TPSA	114.49 Å²
H-Bond Donors	3
H-Bond Acceptors	8
Rotatable Bonds	4
Heavy Atoms	31
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.41
LogP ≤ 5	2.43
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of WWGPBAPYJSIUAN-UHFFFAOYSA-N?

The IUPAC name of WWGPBAPYJSIUAN-UHFFFAOYSA-N (CID 138562721) is 2-[3-[8-amino-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol.

What is the SMILES notation for WWGPBAPYJSIUAN-UHFFFAOYSA-N?

The canonical SMILES for WWGPBAPYJSIUAN-UHFFFAOYSA-N is Cc1ccc(C(O)(CO)C(F)(F)F)cc1-c1cnc2c(N)nc(-c3cnn(C)c3)cn12.

What is the InChIKey of WWGPBAPYJSIUAN-UHFFFAOYSA-N?

The InChIKey is WWGPBAPYJSIUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N6O2/c1-11-3-4-13(19(31,10-30)20(21,22)23)5-14(11)16-7-25-18-17(24)27-15(9-29(16)18)12-6-26-28(2)8-12/h3-9,30-31H,10H2,1-2H3,(H2,24,27).

What are the key properties of WWGPBAPYJSIUAN-UHFFFAOYSA-N?

WWGPBAPYJSIUAN-UHFFFAOYSA-N has a molecular weight of 432.41 g/mol, XLogP of 2.43, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for WWGPBAPYJSIUAN-UHFFFAOYSA-N is sourced from PubChem (CID 138562721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 138562721 — identifiers, structure, computed properties (public domain)

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