N-[[1-(4-fluorophenyl)indazol-5-yl]methyl]cyclohexanecarboxamide

C21H22FN3O — CID 45271780

IUPACN-[[1-(4-fluorophenyl)indazol-5-yl]methyl]cyclohexanecarboxamide
SMILESO=C(NCc1ccc2c(cnn2-c2ccc(F)cc2)c1)C1CCCCC1
InChIInChI=1S/C21H22FN3O/c22-18-7-9-19(10-8-18)25-20-11-6-15(12-17(20)14-24-25)13-23-21(26)16-4-2-1-3-5-16/h6-12,14,16H,1-5,13H2,(H,23,26)
InChIKeyQBNPYPZHAGFXGO-UHFFFAOYSA-N
MW351.43 g/mol
LogP4.36
Rot. Bonds4

About N-[[1-(4-fluorophenyl)indazol-5-yl]methyl]cyclohexanecarboxamide

N-[[1-(4-fluorophenyl)indazol-5-yl]methyl]cyclohexanecarboxamide (PubChem CID 45271780) has the molecular formula C21H22FN3O and a molecular weight of 351.43 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)indazol-5-yl]methyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[[1-(4-fluorophenyl)indazol-5-yl]methyl]cyclohexanecarboxamide
PubChem CID45271780
Molecular FormulaC21H22FN3O
Molecular Weight351.43 g/mol
Exact Mass351.17
IUPAC NameN-[[1-(4-fluorophenyl)indazol-5-yl]methyl]cyclohexanecarboxamide
SMILESO=C(NCc1ccc2c(cnn2-c2ccc(F)cc2)c1)C1CCCCC1
InChIInChI=1S/C21H22FN3O/c22-18-7-9-19(10-8-18)25-20-11-6-15(12-17(20)14-24-25)13-23-21(26)16-4-2-1-3-5-16/h6-12,14,16H,1-5,13H2,(H,23,26)
InChIKeyQBNPYPZHAGFXGO-UHFFFAOYSA-N
XLogP4.36
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluorophenyl)indazol-5-yl]methyl]cyclohexanecarboxamide?
The IUPAC name of N-[[1-(4-fluorophenyl)indazol-5-yl]methyl]cyclohexanecarboxamide (CID 45271780) is N-[[1-(4-fluorophenyl)indazol-5-yl]methyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[[1-(4-fluorophenyl)indazol-5-yl]methyl]cyclohexanecarboxamide?
The canonical SMILES for N-[[1-(4-fluorophenyl)indazol-5-yl]methyl]cyclohexanecarboxamide is O=C(NCc1ccc2c(cnn2-c2ccc(F)cc2)c1)C1CCCCC1.
What is the InChIKey of N-[[1-(4-fluorophenyl)indazol-5-yl]methyl]cyclohexanecarboxamide?
The InChIKey is QBNPYPZHAGFXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O/c22-18-7-9-19(10-8-18)25-20-11-6-15(12-17(20)14-24-25)13-23-21(26)16-4-2-1-3-5-16/h6-12,14,16H,1-5,13H2,(H,23,26).
What are the key properties of N-[[1-(4-fluorophenyl)indazol-5-yl]methyl]cyclohexanecarboxamide?
N-[[1-(4-fluorophenyl)indazol-5-yl]methyl]cyclohexanecarboxamide has a molecular weight of 351.43 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluorophenyl)indazol-5-yl]methyl]cyclohexanecarboxamide is sourced from PubChem (CID 45271780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).