GZVJLMONECYGMQ-UHFFFAOYSA-N

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

C₂₄H₂₅F₂N₅O₂ — CID 118059678

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

IUPAC4-[1-[(4,4-difluorocyclohexyl)methyl]-3-(2-methoxypyrimidin-5-yl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole

SMILESCOc1ncc(-c2cn(CC3CCC(F)(F)CC3)c3cc(-c4c(C)noc4C)cnc23)cn1

InChIInChI=1S/C24H25F2N5O2/c1-14-21(15(2)33-30-14)17-8-20-22(27-9-17)19(18-10-28-23(32-3)29-11-18)13-31(20)12-16-4-6-24(25,26)7-5-16/h8-11,13,16H,4-7,12H2,1-3H3

InChIKeyGZVJLMONECYGMQ-UHFFFAOYSA-N

MW453.49 g/mol

LogP5.60

Rot. Bonds5

About GZVJLMONECYGMQ-UHFFFAOYSA-N

GZVJLMONECYGMQ-UHFFFAOYSA-N (PubChem CID 118059678) has the molecular formula C₂₄H₂₅F₂N₅O₂ and a molecular weight of 453.49 g/mol. Its IUPAC name is 4-[1-[(4,4-difluorocyclohexyl)methyl]-3-(2-methoxypyrimidin-5-yl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name	GZVJLMONECYGMQ-UHFFFAOYSA-N
PubChem CID	118059678
Molecular Formula	C₂₄H₂₅F₂N₅O₂
Molecular Weight	453.49 g/mol
Exact Mass	453.20
IUPAC Name	4-[1-[(4,4-difluorocyclohexyl)methyl]-3-(2-methoxypyrimidin-5-yl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole
SMILES	COc1ncc(-c2cn(CC3CCC(F)(F)CC3)c3cc(-c4c(C)noc4C)cnc23)cn1
InChI	InChI=1S/C24H25F2N5O2/c1-14-21(15(2)33-30-14)17-8-20-22(27-9-17)19(18-10-28-23(32-3)29-11-18)13-31(20)12-16-4-6-24(25,26)7-5-16/h8-11,13,16H,4-7,12H2,1-3H3
InChIKey	GZVJLMONECYGMQ-UHFFFAOYSA-N
XLogP	5.60
TPSA	78.86 Å²
H-Bond Donors
H-Bond Acceptors	7
Rotatable Bonds	5
Heavy Atoms	33
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	453.49
LogP ≤ 5	5.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of GZVJLMONECYGMQ-UHFFFAOYSA-N (CID 118059678) is 4-[1-[(4,4-difluorocyclohexyl)methyl]-3-(2-methoxypyrimidin-5-yl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole.

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

The canonical SMILES for GZVJLMONECYGMQ-UHFFFAOYSA-N is COc1ncc(-c2cn(CC3CCC(F)(F)CC3)c3cc(-c4c(C)noc4C)cnc23)cn1.

What is the InChIKey of GZVJLMONECYGMQ-UHFFFAOYSA-N?

The InChIKey is GZVJLMONECYGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N5O2/c1-14-21(15(2)33-30-14)17-8-20-22(27-9-17)19(18-10-28-23(32-3)29-11-18)13-31(20)12-16-4-6-24(25,26)7-5-16/h8-11,13,16H,4-7,12H2,1-3H3.

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

GZVJLMONECYGMQ-UHFFFAOYSA-N has a molecular weight of 453.49 g/mol, XLogP of 5.60, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for GZVJLMONECYGMQ-UHFFFAOYSA-N is sourced from PubChem (CID 118059678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 118059678 — identifiers, structure, computed properties (public domain)

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