N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-4-(trifluoromethyl)-1H-indazole-3-carboxamide

C22H16F3N5O3 — CID 51347399

IUPACN-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-4-(trifluoromethyl)-1H-indazole-3-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(NC(=O)c3n[nH]c4cccc(C(F)(F)F)c34)cc2)ccn1
InChIInChI=1S/C22H16F3N5O3/c1-26-20(31)17-11-14(9-10-27-17)33-13-7-5-12(6-8-13)28-21(32)19-18-15(22(23,24)25)3-2-4-16(18)29-30-19/h2-11H,1H3,(H,26,31)(H,28,32)(H,29,30)
InChIKeyGFEHJGXZBDZVRC-UHFFFAOYSA-N
MW455.40 g/mol
LogP4.38
Rot. Bonds5

About N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-4-(trifluoromethyl)-1H-indazole-3-carboxamide

N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-4-(trifluoromethyl)-1H-indazole-3-carboxamide (PubChem CID 51347399) has the molecular formula C22H16F3N5O3 and a molecular weight of 455.40 g/mol. Its IUPAC name is N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-4-(trifluoromethyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-4-(trifluoromethyl)-1H-indazole-3-carboxamide
PubChem CID51347399
Molecular FormulaC22H16F3N5O3
Molecular Weight455.40 g/mol
Exact Mass455.12
IUPAC NameN-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-4-(trifluoromethyl)-1H-indazole-3-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(NC(=O)c3n[nH]c4cccc(C(F)(F)F)c34)cc2)ccn1
InChIInChI=1S/C22H16F3N5O3/c1-26-20(31)17-11-14(9-10-27-17)33-13-7-5-12(6-8-13)28-21(32)19-18-15(22(23,24)25)3-2-4-16(18)29-30-19/h2-11H,1H3,(H,26,31)(H,28,32)(H,29,30)
InChIKeyGFEHJGXZBDZVRC-UHFFFAOYSA-N
XLogP4.38
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.40
LogP ≤ 54.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-4-(trifluoromethyl)-1H-indazole-3-carboxamide 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

N'-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-N-[4-(trifluoromethyl)phenyl]oxamide
CID 11236465
N'-[3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-N-[4-(trifluoromethyl)phenyl]oxamide
CID 11408487
4-[4-[[3-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 138743676
N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate
CID 86648443
4-[4-[(4-fluorophenyl)carbamothioylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 46842980
N-methyl-4-[4-[[3-(1,1,2,2,2-pentafluoroethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 131953278
4-[4-[(3-fluorophenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 131953290
4-[4-[[2-[4-chloro-3-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]-N-methylpyridine-2-carboxamide
CID 68784559
N-methyl-4-[4-[[2-(2-piperazin-1-ylethoxy)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 69490272
4-methyl-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 150004213
N-methyl-4-[4-[[3-(2,3,3-trifluorobutan-2-yl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 157417733
N-methyl-4-[4-[[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]amino]phenoxy]pyridine-2-carboxamide
CID 130248768

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-4-(trifluoromethyl)-1H-indazole-3-carboxamide?
The IUPAC name of N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-4-(trifluoromethyl)-1H-indazole-3-carboxamide (CID 51347399) is N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-4-(trifluoromethyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-4-(trifluoromethyl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-4-(trifluoromethyl)-1H-indazole-3-carboxamide is CNC(=O)c1cc(Oc2ccc(NC(=O)c3n[nH]c4cccc(C(F)(F)F)c34)cc2)ccn1.
What is the InChIKey of N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-4-(trifluoromethyl)-1H-indazole-3-carboxamide?
The InChIKey is GFEHJGXZBDZVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N5O3/c1-26-20(31)17-11-14(9-10-27-17)33-13-7-5-12(6-8-13)28-21(32)19-18-15(22(23,24)25)3-2-4-16(18)29-30-19/h2-11H,1H3,(H,26,31)(H,28,32)(H,29,30).
What are the key properties of N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-4-(trifluoromethyl)-1H-indazole-3-carboxamide?
N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-4-(trifluoromethyl)-1H-indazole-3-carboxamide has a molecular weight of 455.40 g/mol, XLogP of 4.38, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-4-(trifluoromethyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 51347399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).