YFOIDWMODLAUIN-UHFFFAOYSA-N

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

C₂₄H₂₀F₃N₅O₃ — CID 118208802

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

IUPAC4-[1-hydroxy-2-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]pyrazol-1-yl]ethyl]benzoic acid

SMILESCc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2cnn(CC(O)c3ccc(C(=O)O)cc3)c2)c1

InChIInChI=1S/C24H20F3N5O3/c1-14-8-19(30-22(9-14)31-21-10-18(6-7-28-21)24(25,26)27)17-11-29-32(12-17)13-20(33)15-2-4-16(5-3-15)23(34)35/h2-12,20,33H,13H2,1H3,(H,34,35)(H,28,30,31)

InChIKeyYFOIDWMODLAUIN-UHFFFAOYSA-N

MW483.45 g/mol

LogP4.84

Rot. Bonds7

About YFOIDWMODLAUIN-UHFFFAOYSA-N

YFOIDWMODLAUIN-UHFFFAOYSA-N (PubChem CID 118208802) has the molecular formula C₂₄H₂₀F₃N₅O₃ and a molecular weight of 483.45 g/mol. Its IUPAC name is 4-[1-hydroxy-2-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]pyrazol-1-yl]ethyl]benzoic acid.

Molecular Properties

Compound Name	YFOIDWMODLAUIN-UHFFFAOYSA-N
PubChem CID	118208802
Molecular Formula	C₂₄H₂₀F₃N₅O₃
Molecular Weight	483.45 g/mol
Exact Mass	483.15
IUPAC Name	4-[1-hydroxy-2-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]pyrazol-1-yl]ethyl]benzoic acid
SMILES	Cc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2cnn(CC(O)c3ccc(C(=O)O)cc3)c2)c1
InChI	InChI=1S/C24H20F3N5O3/c1-14-8-19(30-22(9-14)31-21-10-18(6-7-28-21)24(25,26)27)17-11-29-32(12-17)13-20(33)15-2-4-16(5-3-15)23(34)35/h2-12,20,33H,13H2,1H3,(H,34,35)(H,28,30,31)
InChIKey	YFOIDWMODLAUIN-UHFFFAOYSA-N
XLogP	4.84
TPSA	113.16 Å²
H-Bond Donors	3
H-Bond Acceptors	7
Rotatable Bonds	7
Heavy Atoms	35
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.45
LogP ≤ 5	4.84
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of YFOIDWMODLAUIN-UHFFFAOYSA-N (CID 118208802) is 4-[1-hydroxy-2-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]pyrazol-1-yl]ethyl]benzoic acid.

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

The canonical SMILES for YFOIDWMODLAUIN-UHFFFAOYSA-N is Cc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2cnn(CC(O)c3ccc(C(=O)O)cc3)c2)c1.

What is the InChIKey of YFOIDWMODLAUIN-UHFFFAOYSA-N?

The InChIKey is YFOIDWMODLAUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N5O3/c1-14-8-19(30-22(9-14)31-21-10-18(6-7-28-21)24(25,26)27)17-11-29-32(12-17)13-20(33)15-2-4-16(5-3-15)23(34)35/h2-12,20,33H,13H2,1H3,(H,34,35)(H,28,30,31).

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

YFOIDWMODLAUIN-UHFFFAOYSA-N has a molecular weight of 483.45 g/mol, XLogP of 4.84, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for YFOIDWMODLAUIN-UHFFFAOYSA-N is sourced from PubChem (CID 118208802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 118208802 — identifiers, structure, computed properties (public domain)

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