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

C24H20F3N5O3 — CID 118208802

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

4-[1-hydroxy-2-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]pyrazol-1-yl]ethyl]benzoic acid (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 Name4-[1-hydroxy-2-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]pyrazol-1-yl]ethyl]benzoic acid
PubChem CID118208802
Molecular FormulaC24H20F3N5O3
Molecular Weight483.45 g/mol
Exact Mass483.15
IUPAC Name4-[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
XLogP4.84
TPSA113.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.45
LogP ≤ 54.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[1-hydroxy-2-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]pyrazol-1-yl]ethyl]benzoic acid?
The IUPAC name of 4-[1-hydroxy-2-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]pyrazol-1-yl]ethyl]benzoic acid (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 4-[1-hydroxy-2-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]pyrazol-1-yl]ethyl]benzoic acid?
The canonical SMILES for 4-[1-hydroxy-2-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]pyrazol-1-yl]ethyl]benzoic acid is Cc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2cnn(CC(O)c3ccc(C(=O)O)cc3)c2)c1.
What is the InChIKey of 4-[1-hydroxy-2-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]pyrazol-1-yl]ethyl]benzoic acid?
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 4-[1-hydroxy-2-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]pyrazol-1-yl]ethyl]benzoic acid?
4-[1-hydroxy-2-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]pyrazol-1-yl]ethyl]benzoic acid 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 4-[1-hydroxy-2-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]pyrazol-1-yl]ethyl]benzoic acid is sourced from PubChem (CID 118208802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).