YLLDEVBALRIENY-UHFFFAOYSA-N

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

C₁₈H₁₉F₃N₆O — CID 118119455

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

IUPAC1-[1-methyl-2-[2-[3-methyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-6-yl]ethyl]imidazol-4-yl]pyrrolidin-2-one

SMILESCc1c(C(F)(F)F)nc2ccc(CCc3nc(N4CCCC4=O)cn3C)nn12

InChIInChI=1S/C18H19F3N6O/c1-11-17(18(19,20)21)23-14-8-6-12(24-27(11)14)5-7-13-22-15(10-25(13)2)26-9-3-4-16(26)28/h6,8,10H,3-5,7,9H2,1-2H3

InChIKeyYLLDEVBALRIENY-UHFFFAOYSA-N

MW392.39 g/mol

LogP2.70

Rot. Bonds4

About YLLDEVBALRIENY-UHFFFAOYSA-N

YLLDEVBALRIENY-UHFFFAOYSA-N (PubChem CID 118119455) has the molecular formula C₁₈H₁₉F₃N₆O and a molecular weight of 392.39 g/mol. Its IUPAC name is 1-[1-methyl-2-[2-[3-methyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-6-yl]ethyl]imidazol-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name	YLLDEVBALRIENY-UHFFFAOYSA-N
PubChem CID	118119455
Molecular Formula	C₁₈H₁₉F₃N₆O
Molecular Weight	392.39 g/mol
Exact Mass	392.16
IUPAC Name	1-[1-methyl-2-[2-[3-methyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-6-yl]ethyl]imidazol-4-yl]pyrrolidin-2-one
SMILES	Cc1c(C(F)(F)F)nc2ccc(CCc3nc(N4CCCC4=O)cn3C)nn12
InChI	InChI=1S/C18H19F3N6O/c1-11-17(18(19,20)21)23-14-8-6-12(24-27(11)14)5-7-13-22-15(10-25(13)2)26-9-3-4-16(26)28/h6,8,10H,3-5,7,9H2,1-2H3
InChIKey	YLLDEVBALRIENY-UHFFFAOYSA-N
XLogP	2.70
TPSA	68.32 Å²
H-Bond Donors
H-Bond Acceptors	6
Rotatable Bonds	4
Heavy Atoms	28
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.39
LogP ≤ 5	2.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of YLLDEVBALRIENY-UHFFFAOYSA-N (CID 118119455) is 1-[1-methyl-2-[2-[3-methyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-6-yl]ethyl]imidazol-4-yl]pyrrolidin-2-one.

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

The canonical SMILES for YLLDEVBALRIENY-UHFFFAOYSA-N is Cc1c(C(F)(F)F)nc2ccc(CCc3nc(N4CCCC4=O)cn3C)nn12.

What is the InChIKey of YLLDEVBALRIENY-UHFFFAOYSA-N?

The InChIKey is YLLDEVBALRIENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N6O/c1-11-17(18(19,20)21)23-14-8-6-12(24-27(11)14)5-7-13-22-15(10-25(13)2)26-9-3-4-16(26)28/h6,8,10H,3-5,7,9H2,1-2H3.

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

YLLDEVBALRIENY-UHFFFAOYSA-N has a molecular weight of 392.39 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for YLLDEVBALRIENY-UHFFFAOYSA-N is sourced from PubChem (CID 118119455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 118119455 — identifiers, structure, computed properties (public domain)

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