ODIGMWHYCRTGHW-UHFFFAOYSA-N

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

C₂₅H₂₁F₃N₆O₃S — CID 118182514

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

IUPACN-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide

SMILESO=C(Nc1ccc2nn(CC(=O)N3CCN(C(=O)c4ccccc4)CC3)cc2c1)c1nc(C(F)(F)F)cs1

InChIInChI=1S/C25H21F3N6O3S/c26-25(27,28)20-15-38-23(30-20)22(36)29-18-6-7-19-17(12-18)13-34(31-19)14-21(35)32-8-10-33(11-9-32)24(37)16-4-2-1-3-5-16/h1-7,12-13,15H,8-11,14H2,(H,29,36)

InChIKeyODIGMWHYCRTGHW-UHFFFAOYSA-N

MW542.54 g/mol

LogP3.75

Rot. Bonds5

About ODIGMWHYCRTGHW-UHFFFAOYSA-N

ODIGMWHYCRTGHW-UHFFFAOYSA-N (PubChem CID 118182514) has the molecular formula C₂₅H₂₁F₃N₆O₃S and a molecular weight of 542.54 g/mol. Its IUPAC name is N-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name	ODIGMWHYCRTGHW-UHFFFAOYSA-N
PubChem CID	118182514
Molecular Formula	C₂₅H₂₁F₃N₆O₃S
Molecular Weight	542.54 g/mol
Exact Mass	542.13
IUPAC Name	N-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide
SMILES	O=C(Nc1ccc2nn(CC(=O)N3CCN(C(=O)c4ccccc4)CC3)cc2c1)c1nc(C(F)(F)F)cs1
InChI	InChI=1S/C25H21F3N6O3S/c26-25(27,28)20-15-38-23(30-20)22(36)29-18-6-7-19-17(12-18)13-34(31-19)14-21(35)32-8-10-33(11-9-32)24(37)16-4-2-1-3-5-16/h1-7,12-13,15H,8-11,14H2,(H,29,36)
InChIKey	ODIGMWHYCRTGHW-UHFFFAOYSA-N
XLogP	3.75
TPSA	100.43 Å²
H-Bond Donors	1
H-Bond Acceptors	7
Rotatable Bonds	5
Heavy Atoms	38
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	542.54
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of ODIGMWHYCRTGHW-UHFFFAOYSA-N (CID 118182514) is N-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide.

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

The canonical SMILES for ODIGMWHYCRTGHW-UHFFFAOYSA-N is O=C(Nc1ccc2nn(CC(=O)N3CCN(C(=O)c4ccccc4)CC3)cc2c1)c1nc(C(F)(F)F)cs1.

What is the InChIKey of ODIGMWHYCRTGHW-UHFFFAOYSA-N?

The InChIKey is ODIGMWHYCRTGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F3N6O3S/c26-25(27,28)20-15-38-23(30-20)22(36)29-18-6-7-19-17(12-18)13-34(31-19)14-21(35)32-8-10-33(11-9-32)24(37)16-4-2-1-3-5-16/h1-7,12-13,15H,8-11,14H2,(H,29,36).

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

ODIGMWHYCRTGHW-UHFFFAOYSA-N has a molecular weight of 542.54 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ODIGMWHYCRTGHW-UHFFFAOYSA-N is sourced from PubChem (CID 118182514), 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 118182514 — identifiers, structure, computed properties (public domain)

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