DOIXDATUFGFSRT-UHFFFAOYSA-N

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

C₂₄H₁₉F₄N₅O₂ — CID 118171139

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

IUPAC7-fluoro-4-N-[5-methyl-1-(1-phenylethyl)-3-(trifluoromethyl)pyrazol-4-yl]quinoline-2,4-dicarboxamide

SMILESCc1c(NC(=O)c2cc(C(N)=O)nc3cc(F)ccc23)c(C(F)(F)F)nn1C(C)c1ccccc1

InChIInChI=1S/C24H19F4N5O2/c1-12(14-6-4-3-5-7-14)33-13(2)20(21(32-33)24(26,27)28)31-23(35)17-11-19(22(29)34)30-18-10-15(25)8-9-16(17)18/h3-12H,1-2H3,(H2,29,34)(H,31,35)

InChIKeyDOIXDATUFGFSRT-UHFFFAOYSA-N

MW485.44 g/mol

LogP4.86

Rot. Bonds5

About DOIXDATUFGFSRT-UHFFFAOYSA-N

DOIXDATUFGFSRT-UHFFFAOYSA-N (PubChem CID 118171139) has the molecular formula C₂₄H₁₉F₄N₅O₂ and a molecular weight of 485.44 g/mol. Its IUPAC name is 7-fluoro-4-N-[5-methyl-1-(1-phenylethyl)-3-(trifluoromethyl)pyrazol-4-yl]quinoline-2,4-dicarboxamide.

Molecular Properties

Compound Name	DOIXDATUFGFSRT-UHFFFAOYSA-N
PubChem CID	118171139
Molecular Formula	C₂₄H₁₉F₄N₅O₂
Molecular Weight	485.44 g/mol
Exact Mass	485.15
IUPAC Name	7-fluoro-4-N-[5-methyl-1-(1-phenylethyl)-3-(trifluoromethyl)pyrazol-4-yl]quinoline-2,4-dicarboxamide
SMILES	Cc1c(NC(=O)c2cc(C(N)=O)nc3cc(F)ccc23)c(C(F)(F)F)nn1C(C)c1ccccc1
InChI	InChI=1S/C24H19F4N5O2/c1-12(14-6-4-3-5-7-14)33-13(2)20(21(32-33)24(26,27)28)31-23(35)17-11-19(22(29)34)30-18-10-15(25)8-9-16(17)18/h3-12H,1-2H3,(H2,29,34)(H,31,35)
InChIKey	DOIXDATUFGFSRT-UHFFFAOYSA-N
XLogP	4.86
TPSA	102.90 Å²
H-Bond Donors	2
H-Bond Acceptors	5
Rotatable Bonds	5
Heavy Atoms	35
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.44
LogP ≤ 5	4.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of DOIXDATUFGFSRT-UHFFFAOYSA-N (CID 118171139) is 7-fluoro-4-N-[5-methyl-1-(1-phenylethyl)-3-(trifluoromethyl)pyrazol-4-yl]quinoline-2,4-dicarboxamide.

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

The canonical SMILES for DOIXDATUFGFSRT-UHFFFAOYSA-N is Cc1c(NC(=O)c2cc(C(N)=O)nc3cc(F)ccc23)c(C(F)(F)F)nn1C(C)c1ccccc1.

What is the InChIKey of DOIXDATUFGFSRT-UHFFFAOYSA-N?

The InChIKey is DOIXDATUFGFSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F4N5O2/c1-12(14-6-4-3-5-7-14)33-13(2)20(21(32-33)24(26,27)28)31-23(35)17-11-19(22(29)34)30-18-10-15(25)8-9-16(17)18/h3-12H,1-2H3,(H2,29,34)(H,31,35).

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

DOIXDATUFGFSRT-UHFFFAOYSA-N has a molecular weight of 485.44 g/mol, XLogP of 4.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for DOIXDATUFGFSRT-UHFFFAOYSA-N is sourced from PubChem (CID 118171139), 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 118171139 — identifiers, structure, computed properties (public domain)

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