SDESOQXJTUOTJK-UHFFFAOYSA-N

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

C₂₁H₁₉F₃N₆O₂ — CID 151823894

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

IUPAC(4-hydroxypiperidin-1-yl)-[3-pyrazolo[1,5-a]pyridin-3-yl-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone

SMILESO=C(c1cc2c(cn1)c(-c1cnn3ccccc13)nn2CC(F)(F)F)N1CCC(O)CC1

InChIInChI=1S/C21H19F3N6O2/c22-21(23,24)12-30-18-9-16(20(32)28-7-4-13(31)5-8-28)25-10-14(18)19(27-30)15-11-26-29-6-2-1-3-17(15)29/h1-3,6,9-11,13,31H,4-5,7-8,12H2

InChIKeySDESOQXJTUOTJK-UHFFFAOYSA-N

MW444.42 g/mol

LogP2.91

Rot. Bonds3

About SDESOQXJTUOTJK-UHFFFAOYSA-N

SDESOQXJTUOTJK-UHFFFAOYSA-N (PubChem CID 151823894) has the molecular formula C₂₁H₁₉F₃N₆O₂ and a molecular weight of 444.42 g/mol. Its IUPAC name is (4-hydroxypiperidin-1-yl)-[3-pyrazolo[1,5-a]pyridin-3-yl-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone.

Molecular Properties

Compound Name	SDESOQXJTUOTJK-UHFFFAOYSA-N
PubChem CID	151823894
Molecular Formula	C₂₁H₁₉F₃N₆O₂
Molecular Weight	444.42 g/mol
Exact Mass	444.15
IUPAC Name	(4-hydroxypiperidin-1-yl)-[3-pyrazolo[1,5-a]pyridin-3-yl-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone
SMILES	O=C(c1cc2c(cn1)c(-c1cnn3ccccc13)nn2CC(F)(F)F)N1CCC(O)CC1
InChI	InChI=1S/C21H19F3N6O2/c22-21(23,24)12-30-18-9-16(20(32)28-7-4-13(31)5-8-28)25-10-14(18)19(27-30)15-11-26-29-6-2-1-3-17(15)29/h1-3,6,9-11,13,31H,4-5,7-8,12H2
InChIKey	SDESOQXJTUOTJK-UHFFFAOYSA-N
XLogP	2.91
TPSA	88.55 Å²
H-Bond Donors	1
H-Bond Acceptors	7
Rotatable Bonds	3
Heavy Atoms	32
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.42
LogP ≤ 5	2.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of SDESOQXJTUOTJK-UHFFFAOYSA-N (CID 151823894) is (4-hydroxypiperidin-1-yl)-[3-pyrazolo[1,5-a]pyridin-3-yl-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone.

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

The canonical SMILES for SDESOQXJTUOTJK-UHFFFAOYSA-N is O=C(c1cc2c(cn1)c(-c1cnn3ccccc13)nn2CC(F)(F)F)N1CCC(O)CC1.

What is the InChIKey of SDESOQXJTUOTJK-UHFFFAOYSA-N?

The InChIKey is SDESOQXJTUOTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N6O2/c22-21(23,24)12-30-18-9-16(20(32)28-7-4-13(31)5-8-28)25-10-14(18)19(27-30)15-11-26-29-6-2-1-3-17(15)29/h1-3,6,9-11,13,31H,4-5,7-8,12H2.

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

SDESOQXJTUOTJK-UHFFFAOYSA-N has a molecular weight of 444.42 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for SDESOQXJTUOTJK-UHFFFAOYSA-N is sourced from PubChem (CID 151823894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 151823894 — identifiers, structure, computed properties (public domain)

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