4-fluoro-6-formyl-1-methyl-N-[4-(trifluoromethoxy)phenyl]indazole-3-carboxamide

C17H11F4N3O3 — CID 135345831

IUPAC4-fluoro-6-formyl-1-methyl-N-[4-(trifluoromethoxy)phenyl]indazole-3-carboxamide
SMILESCn1nc(C(=O)Nc2ccc(OC(F)(F)F)cc2)c2c(F)cc(C=O)cc21
InChIInChI=1S/C17H11F4N3O3/c1-24-13-7-9(8-25)6-12(18)14(13)15(23-24)16(26)22-10-2-4-11(5-3-10)27-17(19,20)21/h2-8H,1H3,(H,22,26)
InChIKeyQKZYTEIDGCQXAQ-UHFFFAOYSA-N
MW381.29 g/mol
LogP3.68
Rot. Bonds4

About 4-fluoro-6-formyl-1-methyl-N-[4-(trifluoromethoxy)phenyl]indazole-3-carboxamide

4-fluoro-6-formyl-1-methyl-N-[4-(trifluoromethoxy)phenyl]indazole-3-carboxamide (PubChem CID 135345831) has the molecular formula C17H11F4N3O3 and a molecular weight of 381.29 g/mol. Its IUPAC name is 4-fluoro-6-formyl-1-methyl-N-[4-(trifluoromethoxy)phenyl]indazole-3-carboxamide.

Molecular Properties

Compound Name4-fluoro-6-formyl-1-methyl-N-[4-(trifluoromethoxy)phenyl]indazole-3-carboxamide
PubChem CID135345831
Molecular FormulaC17H11F4N3O3
Molecular Weight381.29 g/mol
Exact Mass381.07
IUPAC Name4-fluoro-6-formyl-1-methyl-N-[4-(trifluoromethoxy)phenyl]indazole-3-carboxamide
SMILESCn1nc(C(=O)Nc2ccc(OC(F)(F)F)cc2)c2c(F)cc(C=O)cc21
InChIInChI=1S/C17H11F4N3O3/c1-24-13-7-9(8-25)6-12(18)14(13)15(23-24)16(26)22-10-2-4-11(5-3-10)27-17(19,20)21/h2-8H,1H3,(H,22,26)
InChIKeyQKZYTEIDGCQXAQ-UHFFFAOYSA-N
XLogP3.68
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.29
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-methyl-3-[[4-(trifluoromethoxy)phenyl]carbamoyl]indazole-6-carboxylic acid
CID 135345841
4-fluoro-1-methyl-6-[[2-[(2-propan-2-ylphenyl)sulfanylcarbamoyl]hydrazinyl]methyl]-N-[4-(trifluoromethoxy)phenyl]indazole-3-carboxamide
CID 170558340
2,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide
CID 19481229
1-methyl-N-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19477475
1-methyl-6-[[(2-propan-2-ylphenyl)carbamothioylhydrazinylidene]methyl]-N-[4-(trifluoromethoxy)phenyl]indazole-3-carboxamide
CID 142438369
4-chloro-1-methyl-N-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19481523
3-[[4-(trifluoromethoxy)phenyl]carbamoyl]pyrazine-2-carboxylic acid
CID 23633123
3-methoxy-1-methyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide
CID 16809642
3-(3-methoxyphenyl)-1-methyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-5-carboxamide
CID 121089502
2-amino-4-fluoro-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 118582181
[1-methyl-4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]imidazol-2-yl] formate
CID 90816637
4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 2678249

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-formyl-1-methyl-N-[4-(trifluoromethoxy)phenyl]indazole-3-carboxamide?
The IUPAC name of 4-fluoro-6-formyl-1-methyl-N-[4-(trifluoromethoxy)phenyl]indazole-3-carboxamide (CID 135345831) is 4-fluoro-6-formyl-1-methyl-N-[4-(trifluoromethoxy)phenyl]indazole-3-carboxamide.
What is the SMILES notation for 4-fluoro-6-formyl-1-methyl-N-[4-(trifluoromethoxy)phenyl]indazole-3-carboxamide?
The canonical SMILES for 4-fluoro-6-formyl-1-methyl-N-[4-(trifluoromethoxy)phenyl]indazole-3-carboxamide is Cn1nc(C(=O)Nc2ccc(OC(F)(F)F)cc2)c2c(F)cc(C=O)cc21.
What is the InChIKey of 4-fluoro-6-formyl-1-methyl-N-[4-(trifluoromethoxy)phenyl]indazole-3-carboxamide?
The InChIKey is QKZYTEIDGCQXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F4N3O3/c1-24-13-7-9(8-25)6-12(18)14(13)15(23-24)16(26)22-10-2-4-11(5-3-10)27-17(19,20)21/h2-8H,1H3,(H,22,26).
What are the key properties of 4-fluoro-6-formyl-1-methyl-N-[4-(trifluoromethoxy)phenyl]indazole-3-carboxamide?
4-fluoro-6-formyl-1-methyl-N-[4-(trifluoromethoxy)phenyl]indazole-3-carboxamide has a molecular weight of 381.29 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-formyl-1-methyl-N-[4-(trifluoromethoxy)phenyl]indazole-3-carboxamide is sourced from PubChem (CID 135345831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).