DXOIIVKMGJKUJS-UHFFFAOYSA-N

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

C₂₁H₂₃F₃N₆O — CID 67949843

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

IUPAC1-[6-methyl-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]cyclobutan-1-ol

SMILESCC1CN(c2ccc(C(F)(F)F)c(-c3[nH]nc4ncccc34)n2)CC(C2(O)CCC2)N1

InChIInChI=1S/C21H23F3N6O/c1-12-10-30(11-15(26-12)20(31)7-3-8-20)16-6-5-14(21(22,23)24)18(27-16)17-13-4-2-9-25-19(13)29-28-17/h2,4-6,9,12,15,26,31H,3,7-8,10-11H2,1H3,(H,25,28,29)

InChIKeyDXOIIVKMGJKUJS-UHFFFAOYSA-N

MW432.45 g/mol

LogP3.12

Rot. Bonds3

About DXOIIVKMGJKUJS-UHFFFAOYSA-N

DXOIIVKMGJKUJS-UHFFFAOYSA-N (PubChem CID 67949843) has the molecular formula C₂₁H₂₃F₃N₆O and a molecular weight of 432.45 g/mol. Its IUPAC name is 1-[6-methyl-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name	DXOIIVKMGJKUJS-UHFFFAOYSA-N
PubChem CID	67949843
Molecular Formula	C₂₁H₂₃F₃N₆O
Molecular Weight	432.45 g/mol
Exact Mass	432.19
IUPAC Name	1-[6-methyl-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]cyclobutan-1-ol
SMILES	CC1CN(c2ccc(C(F)(F)F)c(-c3[nH]nc4ncccc34)n2)CC(C2(O)CCC2)N1
InChI	InChI=1S/C21H23F3N6O/c1-12-10-30(11-15(26-12)20(31)7-3-8-20)16-6-5-14(21(22,23)24)18(27-16)17-13-4-2-9-25-19(13)29-28-17/h2,4-6,9,12,15,26,31H,3,7-8,10-11H2,1H3,(H,25,28,29)
InChIKey	DXOIIVKMGJKUJS-UHFFFAOYSA-N
XLogP	3.12
TPSA	89.96 Å²
H-Bond Donors	3
H-Bond Acceptors	6
Rotatable Bonds	3
Heavy Atoms	31
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.45
LogP ≤ 5	3.12
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of DXOIIVKMGJKUJS-UHFFFAOYSA-N (CID 67949843) is 1-[6-methyl-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]cyclobutan-1-ol.

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

The canonical SMILES for DXOIIVKMGJKUJS-UHFFFAOYSA-N is CC1CN(c2ccc(C(F)(F)F)c(-c3[nH]nc4ncccc34)n2)CC(C2(O)CCC2)N1.

What is the InChIKey of DXOIIVKMGJKUJS-UHFFFAOYSA-N?

The InChIKey is DXOIIVKMGJKUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N6O/c1-12-10-30(11-15(26-12)20(31)7-3-8-20)16-6-5-14(21(22,23)24)18(27-16)17-13-4-2-9-25-19(13)29-28-17/h2,4-6,9,12,15,26,31H,3,7-8,10-11H2,1H3,(H,25,28,29).

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

DXOIIVKMGJKUJS-UHFFFAOYSA-N has a molecular weight of 432.45 g/mol, XLogP of 3.12, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for DXOIIVKMGJKUJS-UHFFFAOYSA-N is sourced from PubChem (CID 67949843), 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 67949843 — identifiers, structure, computed properties (public domain)

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