HZOGUYBMYUAJMR-UHFFFAOYSA-N

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

C₁₉H₁₆F₆N₆O₂ — CID 136968666

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

IUPAC6-[4-[4-hydroxy-6-oxo-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile

SMILESN#Cc1nc(N2CCC(c3[nH]nc4c3C(O)(C(F)(F)F)CC(=O)N4)CC2)ccc1C(F)(F)F

InChIInChI=1S/C19H16F6N6O2/c20-18(21,22)10-1-2-12(27-11(10)8-26)31-5-3-9(4-6-31)15-14-16(30-29-15)28-13(32)7-17(14,33)19(23,24)25/h1-2,9,33H,3-7H2,(H2,28,29,30,32)

InChIKeyHZOGUYBMYUAJMR-UHFFFAOYSA-N

MW474.37 g/mol

LogP3.17

Rot. Bonds2

About HZOGUYBMYUAJMR-UHFFFAOYSA-N

HZOGUYBMYUAJMR-UHFFFAOYSA-N (PubChem CID 136968666) has the molecular formula C₁₉H₁₆F₆N₆O₂ and a molecular weight of 474.37 g/mol. Its IUPAC name is 6-[4-[4-hydroxy-6-oxo-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name	HZOGUYBMYUAJMR-UHFFFAOYSA-N
PubChem CID	136968666
Molecular Formula	C₁₉H₁₆F₆N₆O₂
Molecular Weight	474.37 g/mol
Exact Mass	474.12
IUPAC Name	6-[4-[4-hydroxy-6-oxo-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile
SMILES	N#Cc1nc(N2CCC(c3[nH]nc4c3C(O)(C(F)(F)F)CC(=O)N4)CC2)ccc1C(F)(F)F
InChI	InChI=1S/C19H16F6N6O2/c20-18(21,22)10-1-2-12(27-11(10)8-26)31-5-3-9(4-6-31)15-14-16(30-29-15)28-13(32)7-17(14,33)19(23,24)25/h1-2,9,33H,3-7H2,(H2,28,29,30,32)
InChIKey	HZOGUYBMYUAJMR-UHFFFAOYSA-N
XLogP	3.17
TPSA	117.93 Å²
H-Bond Donors	3
H-Bond Acceptors	6
Rotatable Bonds	2
Heavy Atoms	33
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.37
LogP ≤ 5	3.17
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of HZOGUYBMYUAJMR-UHFFFAOYSA-N (CID 136968666) is 6-[4-[4-hydroxy-6-oxo-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile.

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

The canonical SMILES for HZOGUYBMYUAJMR-UHFFFAOYSA-N is N#Cc1nc(N2CCC(c3[nH]nc4c3C(O)(C(F)(F)F)CC(=O)N4)CC2)ccc1C(F)(F)F.

What is the InChIKey of HZOGUYBMYUAJMR-UHFFFAOYSA-N?

The InChIKey is HZOGUYBMYUAJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F6N6O2/c20-18(21,22)10-1-2-12(27-11(10)8-26)31-5-3-9(4-6-31)15-14-16(30-29-15)28-13(32)7-17(14,33)19(23,24)25/h1-2,9,33H,3-7H2,(H2,28,29,30,32).

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

HZOGUYBMYUAJMR-UHFFFAOYSA-N has a molecular weight of 474.37 g/mol, XLogP of 3.17, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for HZOGUYBMYUAJMR-UHFFFAOYSA-N is sourced from PubChem (CID 136968666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 136968666 — identifiers, structure, computed properties (public domain)

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