4-chloro-N-[3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(trifluoromethyl)benzamide

C23H16ClF3N4O2 — CID 23649362

IUPAC4-chloro-N-[3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(trifluoromethyl)benzamide
SMILESCn1cc(-c2cc(Oc3cccc(NC(=O)c4ccc(Cl)c(C(F)(F)F)c4)c3)ccn2)cn1
InChIInChI=1S/C23H16ClF3N4O2/c1-31-13-15(12-29-31)21-11-18(7-8-28-21)33-17-4-2-3-16(10-17)30-22(32)14-5-6-20(24)19(9-14)23(25,26)27/h2-13H,1H3,(H,30,32)
InChIKeyIDCMAGWGDSRIGQ-UHFFFAOYSA-N
MW472.85 g/mol
LogP6.20
Rot. Bonds5

About 4-chloro-N-[3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(trifluoromethyl)benzamide

4-chloro-N-[3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 23649362) has the molecular formula C23H16ClF3N4O2 and a molecular weight of 472.85 g/mol. Its IUPAC name is 4-chloro-N-[3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(trifluoromethyl)benzamide
PubChem CID23649362
Molecular FormulaC23H16ClF3N4O2
Molecular Weight472.85 g/mol
Exact Mass472.09
IUPAC Name4-chloro-N-[3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(trifluoromethyl)benzamide
SMILESCn1cc(-c2cc(Oc3cccc(NC(=O)c4ccc(Cl)c(C(F)(F)F)c4)c3)ccn2)cn1
InChIInChI=1S/C23H16ClF3N4O2/c1-31-13-15(12-29-31)21-11-18(7-8-28-21)33-17-4-2-3-16(10-17)30-22(32)14-5-6-20(24)19(9-14)23(25,26)27/h2-13H,1H3,(H,30,32)
InChIKeyIDCMAGWGDSRIGQ-UHFFFAOYSA-N
XLogP6.20
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.85
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-chloro-N-[3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(trifluoromethyl)benzamide with MolForge

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

Launch Full Analysis

Related Compounds

4-chloro-N-[4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(trifluoromethyl)benzamide;4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]aniline
CID 160612400
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-nitrophenyl]urea
CID 66550823
N-[3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]naphthalene-1-carboxamide
CID 23649066
N-[3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-1H-indole-7-carboxamide
CID 23649174
2-[[4-chloro-3-(trifluoromethyl)anilino]methylamino]-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]benzenethiol
CID 163934804
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[2-methoxy-6-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]urea
CID 118449697
5-[4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-2-pyridinyl]-1-methylpyrrole-3-carboxylic acid
CID 71295721
2-imidazol-1-yl-N-[3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]benzamide;3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]aniline
CID 158680667
4-chloro-N-(3-chlorophenyl)-3-(trifluoromethyl)benzamide
CID 154268338
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(3-methylphenoxy)benzamide
CID 16650954
1-[3-[2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]oxyphenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 58917270
N'-[4-chloro-3-(trifluoromethyl)benzoyl]-4-phenoxypyridine-2-carbohydrazide
CID 141370066

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-chloro-N-[3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(trifluoromethyl)benzamide (CID 23649362) is 4-chloro-N-[3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-chloro-N-[3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-chloro-N-[3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(trifluoromethyl)benzamide is Cn1cc(-c2cc(Oc3cccc(NC(=O)c4ccc(Cl)c(C(F)(F)F)c4)c3)ccn2)cn1.
What is the InChIKey of 4-chloro-N-[3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is IDCMAGWGDSRIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClF3N4O2/c1-31-13-15(12-29-31)21-11-18(7-8-28-21)33-17-4-2-3-16(10-17)30-22(32)14-5-6-20(24)19(9-14)23(25,26)27/h2-13H,1H3,(H,30,32).
What are the key properties of 4-chloro-N-[3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(trifluoromethyl)benzamide?
4-chloro-N-[3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 472.85 g/mol, XLogP of 6.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 23649362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).