RXEOSSBGRJOELV-UHFFFAOYSA-N

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

C₁₉H₁₉F₅N₆O — CID 53354172

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

IUPAC2-[4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]-4,4,4-trifluorobutan-2-ol

SMILESCC(O)(CC(F)(F)F)C1CN(c2nc(-c3[nH]nc4ncccc34)c(F)cc2F)CCN1

InChIInChI=1S/C19H19F5N6O/c1-18(31,9-19(22,23)24)13-8-30(6-5-25-13)17-12(21)7-11(20)15(27-17)14-10-3-2-4-26-16(10)29-28-14/h2-4,7,13,25,31H,5-6,8-9H2,1H3,(H,26,28,29)

InChIKeyRXEOSSBGRJOELV-UHFFFAOYSA-N

MW442.39 g/mol

LogP2.78

Rot. Bonds4

About RXEOSSBGRJOELV-UHFFFAOYSA-N

RXEOSSBGRJOELV-UHFFFAOYSA-N (PubChem CID 53354172) has the molecular formula C₁₉H₁₉F₅N₆O and a molecular weight of 442.39 g/mol. Its IUPAC name is 2-[4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]-4,4,4-trifluorobutan-2-ol.

Molecular Properties

Compound Name	RXEOSSBGRJOELV-UHFFFAOYSA-N
PubChem CID	53354172
Molecular Formula	C₁₉H₁₉F₅N₆O
Molecular Weight	442.39 g/mol
Exact Mass	442.15
IUPAC Name	2-[4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]-4,4,4-trifluorobutan-2-ol
SMILES	CC(O)(CC(F)(F)F)C1CN(c2nc(-c3[nH]nc4ncccc34)c(F)cc2F)CCN1
InChI	InChI=1S/C19H19F5N6O/c1-18(31,9-19(22,23)24)13-8-30(6-5-25-13)17-12(21)7-11(20)15(27-17)14-10-3-2-4-26-16(10)29-28-14/h2-4,7,13,25,31H,5-6,8-9H2,1H3,(H,26,28,29)
InChIKey	RXEOSSBGRJOELV-UHFFFAOYSA-N
XLogP	2.78
TPSA	89.96 Å²
H-Bond Donors	3
H-Bond Acceptors	6
Rotatable Bonds	4
Heavy Atoms	31
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.39
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of RXEOSSBGRJOELV-UHFFFAOYSA-N (CID 53354172) is 2-[4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]-4,4,4-trifluorobutan-2-ol.

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

The canonical SMILES for RXEOSSBGRJOELV-UHFFFAOYSA-N is CC(O)(CC(F)(F)F)C1CN(c2nc(-c3[nH]nc4ncccc34)c(F)cc2F)CCN1.

What is the InChIKey of RXEOSSBGRJOELV-UHFFFAOYSA-N?

The InChIKey is RXEOSSBGRJOELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F5N6O/c1-18(31,9-19(22,23)24)13-8-30(6-5-25-13)17-12(21)7-11(20)15(27-17)14-10-3-2-4-26-16(10)29-28-14/h2-4,7,13,25,31H,5-6,8-9H2,1H3,(H,26,28,29).

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

RXEOSSBGRJOELV-UHFFFAOYSA-N has a molecular weight of 442.39 g/mol, XLogP of 2.78, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for RXEOSSBGRJOELV-UHFFFAOYSA-N is sourced from PubChem (CID 53354172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 53354172 — identifiers, structure, computed properties (public domain)

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