N'-hydroxy-3-(1H-indazol-5-yl)-2-naphthalen-1-yl-5-(trifluoromethyl)benzenecarboximidamide

C25H17F3N4O — CID 89401616

IUPACN'-hydroxy-3-(1H-indazol-5-yl)-2-naphthalen-1-yl-5-(trifluoromethyl)benzenecarboximidamide
SMILESN/C(=N\O)c1cc(C(F)(F)F)cc(-c2ccc3[nH]ncc3c2)c1-c1cccc2ccccc12
InChIInChI=1S/C25H17F3N4O/c26-25(27,28)17-11-20(15-8-9-22-16(10-15)13-30-31-22)23(21(12-17)24(29)32-33)19-7-3-5-14-4-1-2-6-18(14)19/h1-13,33H,(H2,29,32)(H,30,31)
InChIKeyHKWYUBAVOKCBGN-UHFFFAOYSA-N
MW446.43 g/mol
LogP6.16
Rot. Bonds3

About N'-hydroxy-3-(1H-indazol-5-yl)-2-naphthalen-1-yl-5-(trifluoromethyl)benzenecarboximidamide

N'-hydroxy-3-(1H-indazol-5-yl)-2-naphthalen-1-yl-5-(trifluoromethyl)benzenecarboximidamide (PubChem CID 89401616) has the molecular formula C25H17F3N4O and a molecular weight of 446.43 g/mol. Its IUPAC name is N'-hydroxy-3-(1H-indazol-5-yl)-2-naphthalen-1-yl-5-(trifluoromethyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(1H-indazol-5-yl)-2-naphthalen-1-yl-5-(trifluoromethyl)benzenecarboximidamide
PubChem CID89401616
Molecular FormulaC25H17F3N4O
Molecular Weight446.43 g/mol
Exact Mass446.14
IUPAC NameN'-hydroxy-3-(1H-indazol-5-yl)-2-naphthalen-1-yl-5-(trifluoromethyl)benzenecarboximidamide
SMILESN/C(=N\O)c1cc(C(F)(F)F)cc(-c2ccc3[nH]ncc3c2)c1-c1cccc2ccccc12
InChIInChI=1S/C25H17F3N4O/c26-25(27,28)17-11-20(15-8-9-22-16(10-15)13-30-31-22)23(21(12-17)24(29)32-33)19-7-3-5-14-4-1-2-6-18(14)19/h1-13,33H,(H2,29,32)(H,30,31)
InChIKeyHKWYUBAVOKCBGN-UHFFFAOYSA-N
XLogP6.16
TPSA87.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.43
LogP ≤ 56.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-hydroxy-3-(1H-indazol-5-yl)-2-naphthalen-1-yl-5-(trifluoromethyl)benzenecarboximidamide 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 N'-hydroxy-3-(1H-indazol-5-yl)-2-naphthalen-1-yl-5-(trifluoromethyl)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-3-(1H-indazol-5-yl)-2-naphthalen-1-yl-5-(trifluoromethyl)benzenecarboximidamide (CID 89401616) is N'-hydroxy-3-(1H-indazol-5-yl)-2-naphthalen-1-yl-5-(trifluoromethyl)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-3-(1H-indazol-5-yl)-2-naphthalen-1-yl-5-(trifluoromethyl)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-3-(1H-indazol-5-yl)-2-naphthalen-1-yl-5-(trifluoromethyl)benzenecarboximidamide is N/C(=N\O)c1cc(C(F)(F)F)cc(-c2ccc3[nH]ncc3c2)c1-c1cccc2ccccc12.
What is the InChIKey of N'-hydroxy-3-(1H-indazol-5-yl)-2-naphthalen-1-yl-5-(trifluoromethyl)benzenecarboximidamide?
The InChIKey is HKWYUBAVOKCBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17F3N4O/c26-25(27,28)17-11-20(15-8-9-22-16(10-15)13-30-31-22)23(21(12-17)24(29)32-33)19-7-3-5-14-4-1-2-6-18(14)19/h1-13,33H,(H2,29,32)(H,30,31).
What are the key properties of N'-hydroxy-3-(1H-indazol-5-yl)-2-naphthalen-1-yl-5-(trifluoromethyl)benzenecarboximidamide?
N'-hydroxy-3-(1H-indazol-5-yl)-2-naphthalen-1-yl-5-(trifluoromethyl)benzenecarboximidamide has a molecular weight of 446.43 g/mol, XLogP of 6.16, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(1H-indazol-5-yl)-2-naphthalen-1-yl-5-(trifluoromethyl)benzenecarboximidamide is sourced from PubChem (CID 89401616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).