LGDRUWQUFYVVRO-UHFFFAOYSA-N

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

C₁₇H₁₂F₃N₅O — CID 118511235

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

IUPAC2-pyridin-3-yl-5-[6-(trifluoromethyl)-2-pyridinyl]-6,7-dihydropyrazolo[4,3-c]pyridin-4-one

SMILESO=C1c2cn(-c3cccnc3)nc2CCN1c1cccc(C(F)(F)F)n1

InChIInChI=1S/C17H12F3N5O/c18-17(19,20)14-4-1-5-15(22-14)24-8-6-13-12(16(24)26)10-25(23-13)11-3-2-7-21-9-11/h1-5,7,9-10H,6,8H2

InChIKeyLGDRUWQUFYVVRO-UHFFFAOYSA-N

MW359.31 g/mol

LogP2.88

Rot. Bonds2

About LGDRUWQUFYVVRO-UHFFFAOYSA-N

LGDRUWQUFYVVRO-UHFFFAOYSA-N (PubChem CID 118511235) has the molecular formula C₁₇H₁₂F₃N₅O and a molecular weight of 359.31 g/mol. Its IUPAC name is 2-pyridin-3-yl-5-[6-(trifluoromethyl)-2-pyridinyl]-6,7-dihydropyrazolo[4,3-c]pyridin-4-one.

Molecular Properties

Compound Name	LGDRUWQUFYVVRO-UHFFFAOYSA-N
PubChem CID	118511235
Molecular Formula	C₁₇H₁₂F₃N₅O
Molecular Weight	359.31 g/mol
Exact Mass	359.10
IUPAC Name	2-pyridin-3-yl-5-[6-(trifluoromethyl)-2-pyridinyl]-6,7-dihydropyrazolo[4,3-c]pyridin-4-one
SMILES	O=C1c2cn(-c3cccnc3)nc2CCN1c1cccc(C(F)(F)F)n1
InChI	InChI=1S/C17H12F3N5O/c18-17(19,20)14-4-1-5-15(22-14)24-8-6-13-12(16(24)26)10-25(23-13)11-3-2-7-21-9-11/h1-5,7,9-10H,6,8H2
InChIKey	LGDRUWQUFYVVRO-UHFFFAOYSA-N
XLogP	2.88
TPSA	63.91 Å²
H-Bond Donors
H-Bond Acceptors	5
Rotatable Bonds	2
Heavy Atoms	26
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	359.31
LogP ≤ 5	2.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of LGDRUWQUFYVVRO-UHFFFAOYSA-N (CID 118511235) is 2-pyridin-3-yl-5-[6-(trifluoromethyl)-2-pyridinyl]-6,7-dihydropyrazolo[4,3-c]pyridin-4-one.

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

The canonical SMILES for LGDRUWQUFYVVRO-UHFFFAOYSA-N is O=C1c2cn(-c3cccnc3)nc2CCN1c1cccc(C(F)(F)F)n1.

What is the InChIKey of LGDRUWQUFYVVRO-UHFFFAOYSA-N?

The InChIKey is LGDRUWQUFYVVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N5O/c18-17(19,20)14-4-1-5-15(22-14)24-8-6-13-12(16(24)26)10-25(23-13)11-3-2-7-21-9-11/h1-5,7,9-10H,6,8H2.

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

LGDRUWQUFYVVRO-UHFFFAOYSA-N has a molecular weight of 359.31 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for LGDRUWQUFYVVRO-UHFFFAOYSA-N is sourced from PubChem (CID 118511235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 118511235 — identifiers, structure, computed properties (public domain)

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