GKBXDFXAZQWLAI-UHFFFAOYSA-N

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

C₁₉H₁₁F₃N₄O — CID 13475971

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

IUPACpyridin-4-yl-[7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methanone

SMILESO=C(c1ccncc1)c1cnn2c(-c3cccc(C(F)(F)F)c3)ccnc12

InChIInChI=1S/C19H11F3N4O/c20-19(21,22)14-3-1-2-13(10-14)16-6-9-24-18-15(11-25-26(16)18)17(27)12-4-7-23-8-5-12/h1-11H

InChIKeyGKBXDFXAZQWLAI-UHFFFAOYSA-N

MW368.32 g/mol

LogP4.04

Rot. Bonds3

About GKBXDFXAZQWLAI-UHFFFAOYSA-N

GKBXDFXAZQWLAI-UHFFFAOYSA-N (PubChem CID 13475971) has the molecular formula C₁₉H₁₁F₃N₄O and a molecular weight of 368.32 g/mol. Its IUPAC name is pyridin-4-yl-[7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methanone.

Molecular Properties

Compound Name	GKBXDFXAZQWLAI-UHFFFAOYSA-N
PubChem CID	13475971
Molecular Formula	C₁₉H₁₁F₃N₄O
Molecular Weight	368.32 g/mol
Exact Mass	368.09
IUPAC Name	pyridin-4-yl-[7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methanone
SMILES	O=C(c1ccncc1)c1cnn2c(-c3cccc(C(F)(F)F)c3)ccnc12
InChI	InChI=1S/C19H11F3N4O/c20-19(21,22)14-3-1-2-13(10-14)16-6-9-24-18-15(11-25-26(16)18)17(27)12-4-7-23-8-5-12/h1-11H
InChIKey	GKBXDFXAZQWLAI-UHFFFAOYSA-N
XLogP	4.04
TPSA	60.15 Å²
H-Bond Donors
H-Bond Acceptors	5
Rotatable Bonds	3
Heavy Atoms	27
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.32
LogP ≤ 5	4.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of GKBXDFXAZQWLAI-UHFFFAOYSA-N (CID 13475971) is pyridin-4-yl-[7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methanone.

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

The canonical SMILES for GKBXDFXAZQWLAI-UHFFFAOYSA-N is O=C(c1ccncc1)c1cnn2c(-c3cccc(C(F)(F)F)c3)ccnc12.

What is the InChIKey of GKBXDFXAZQWLAI-UHFFFAOYSA-N?

The InChIKey is GKBXDFXAZQWLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F3N4O/c20-19(21,22)14-3-1-2-13(10-14)16-6-9-24-18-15(11-25-26(16)18)17(27)12-4-7-23-8-5-12/h1-11H.

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

GKBXDFXAZQWLAI-UHFFFAOYSA-N has a molecular weight of 368.32 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for GKBXDFXAZQWLAI-UHFFFAOYSA-N is sourced from PubChem (CID 13475971), 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 13475971 — identifiers, structure, computed properties (public domain)

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