JKZOJMIYGIZYGQ-UHFFFAOYSA-N

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

C₂₅H₃₀F₃N₃O₃ — CID 118561382

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

IUPACethyl 4-[2-[1-benzyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexane-1-carboxylate

SMILESCCOC(=O)C1CCC(CC(=O)N2CCc3c(C(F)(F)F)nn(Cc4ccccc4)c3C2)CC1

InChIInChI=1S/C25H30F3N3O3/c1-2-34-24(33)19-10-8-17(9-11-19)14-22(32)30-13-12-20-21(16-30)31(29-23(20)25(26,27)28)15-18-6-4-3-5-7-18/h3-7,17,19H,2,8-16H2,1H3

InChIKeyJKZOJMIYGIZYGQ-UHFFFAOYSA-N

MW477.53 g/mol

LogP4.59

Rot. Bonds6

About JKZOJMIYGIZYGQ-UHFFFAOYSA-N

JKZOJMIYGIZYGQ-UHFFFAOYSA-N (PubChem CID 118561382) has the molecular formula C₂₅H₃₀F₃N₃O₃ and a molecular weight of 477.53 g/mol. Its IUPAC name is ethyl 4-[2-[1-benzyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Name	JKZOJMIYGIZYGQ-UHFFFAOYSA-N
PubChem CID	118561382
Molecular Formula	C₂₅H₃₀F₃N₃O₃
Molecular Weight	477.53 g/mol
Exact Mass	477.22
IUPAC Name	ethyl 4-[2-[1-benzyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexane-1-carboxylate
SMILES	CCOC(=O)C1CCC(CC(=O)N2CCc3c(C(F)(F)F)nn(Cc4ccccc4)c3C2)CC1
InChI	InChI=1S/C25H30F3N3O3/c1-2-34-24(33)19-10-8-17(9-11-19)14-22(32)30-13-12-20-21(16-30)31(29-23(20)25(26,27)28)15-18-6-4-3-5-7-18/h3-7,17,19H,2,8-16H2,1H3
InChIKey	JKZOJMIYGIZYGQ-UHFFFAOYSA-N
XLogP	4.59
TPSA	64.43 Å²
H-Bond Donors
H-Bond Acceptors	5
Rotatable Bonds	6
Heavy Atoms	34
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.53
LogP ≤ 5	4.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of JKZOJMIYGIZYGQ-UHFFFAOYSA-N (CID 118561382) is ethyl 4-[2-[1-benzyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexane-1-carboxylate.

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

The canonical SMILES for JKZOJMIYGIZYGQ-UHFFFAOYSA-N is CCOC(=O)C1CCC(CC(=O)N2CCc3c(C(F)(F)F)nn(Cc4ccccc4)c3C2)CC1.

What is the InChIKey of JKZOJMIYGIZYGQ-UHFFFAOYSA-N?

The InChIKey is JKZOJMIYGIZYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F3N3O3/c1-2-34-24(33)19-10-8-17(9-11-19)14-22(32)30-13-12-20-21(16-30)31(29-23(20)25(26,27)28)15-18-6-4-3-5-7-18/h3-7,17,19H,2,8-16H2,1H3.

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

JKZOJMIYGIZYGQ-UHFFFAOYSA-N has a molecular weight of 477.53 g/mol, XLogP of 4.59, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for JKZOJMIYGIZYGQ-UHFFFAOYSA-N is sourced from PubChem (CID 118561382), 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 118561382 — identifiers, structure, computed properties (public domain)

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