RCEDLCXWCZORSL-UHFFFAOYSA-N

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

C₁₈H₁₂ClF₃N₄OS — CID 134493853

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

IUPAC1-[(5-chloro-3-pyridinyl)methyl]-3-methyl-6-[5-(trifluoromethyl)thiophen-2-yl]imidazo[4,5-b]pyridin-2-one

SMILESCn1c(=O)n(Cc2cncc(Cl)c2)c2cc(-c3ccc(C(F)(F)F)s3)cnc21

InChIInChI=1S/C18H12ClF3N4OS/c1-25-16-13(26(17(25)27)9-10-4-12(19)8-23-6-10)5-11(7-24-16)14-2-3-15(28-14)18(20,21)22/h2-8H,9H2,1H3

InChIKeyRCEDLCXWCZORSL-UHFFFAOYSA-N

MW424.84 g/mol

LogP4.58

Rot. Bonds3

About RCEDLCXWCZORSL-UHFFFAOYSA-N

RCEDLCXWCZORSL-UHFFFAOYSA-N (PubChem CID 134493853) has the molecular formula C₁₈H₁₂ClF₃N₄OS and a molecular weight of 424.84 g/mol. Its IUPAC name is 1-[(5-chloro-3-pyridinyl)methyl]-3-methyl-6-[5-(trifluoromethyl)thiophen-2-yl]imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name	RCEDLCXWCZORSL-UHFFFAOYSA-N
PubChem CID	134493853
Molecular Formula	C₁₈H₁₂ClF₃N₄OS
Molecular Weight	424.84 g/mol
Exact Mass	424.04
IUPAC Name	1-[(5-chloro-3-pyridinyl)methyl]-3-methyl-6-[5-(trifluoromethyl)thiophen-2-yl]imidazo[4,5-b]pyridin-2-one
SMILES	Cn1c(=O)n(Cc2cncc(Cl)c2)c2cc(-c3ccc(C(F)(F)F)s3)cnc21
InChI	InChI=1S/C18H12ClF3N4OS/c1-25-16-13(26(17(25)27)9-10-4-12(19)8-23-6-10)5-11(7-24-16)14-2-3-15(28-14)18(20,21)22/h2-8H,9H2,1H3
InChIKey	RCEDLCXWCZORSL-UHFFFAOYSA-N
XLogP	4.58
TPSA	52.71 Å²
H-Bond Donors
H-Bond Acceptors	6
Rotatable Bonds	3
Heavy Atoms	28
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.84
LogP ≤ 5	4.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of RCEDLCXWCZORSL-UHFFFAOYSA-N (CID 134493853) is 1-[(5-chloro-3-pyridinyl)methyl]-3-methyl-6-[5-(trifluoromethyl)thiophen-2-yl]imidazo[4,5-b]pyridin-2-one.

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

The canonical SMILES for RCEDLCXWCZORSL-UHFFFAOYSA-N is Cn1c(=O)n(Cc2cncc(Cl)c2)c2cc(-c3ccc(C(F)(F)F)s3)cnc21.

What is the InChIKey of RCEDLCXWCZORSL-UHFFFAOYSA-N?

The InChIKey is RCEDLCXWCZORSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClF3N4OS/c1-25-16-13(26(17(25)27)9-10-4-12(19)8-23-6-10)5-11(7-24-16)14-2-3-15(28-14)18(20,21)22/h2-8H,9H2,1H3.

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

RCEDLCXWCZORSL-UHFFFAOYSA-N has a molecular weight of 424.84 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for RCEDLCXWCZORSL-UHFFFAOYSA-N is sourced from PubChem (CID 134493853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 134493853 — identifiers, structure, computed properties (public domain)

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