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

C19H20FN3O — CID 45270098

IUPACN-[[1-(4-fluorophenyl)indazol-5-yl]methyl]pentanamide
SMILESCCCCC(=O)NCc1ccc2c(cnn2-c2ccc(F)cc2)c1
InChIInChI=1S/C19H20FN3O/c1-2-3-4-19(24)21-12-14-5-10-18-15(11-14)13-22-23(18)17-8-6-16(20)7-9-17/h5-11,13H,2-4,12H2,1H3,(H,21,24)
InChIKeyAGEHOAYDTWSQIS-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.97
Rot. Bonds6

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

N-[[1-(4-fluorophenyl)indazol-5-yl]methyl]pentanamide (PubChem CID 45270098) has the molecular formula C19H20FN3O and a molecular weight of 325.39 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)indazol-5-yl]methyl]pentanamide.

Molecular Properties

Compound NameN-[[1-(4-fluorophenyl)indazol-5-yl]methyl]pentanamide
PubChem CID45270098
Molecular FormulaC19H20FN3O
Molecular Weight325.39 g/mol
Exact Mass325.16
IUPAC NameN-[[1-(4-fluorophenyl)indazol-5-yl]methyl]pentanamide
SMILESCCCCC(=O)NCc1ccc2c(cnn2-c2ccc(F)cc2)c1
InChIInChI=1S/C19H20FN3O/c1-2-3-4-19(24)21-12-14-5-10-18-15(11-14)13-22-23(18)17-8-6-16(20)7-9-17/h5-11,13H,2-4,12H2,1H3,(H,21,24)
InChIKeyAGEHOAYDTWSQIS-UHFFFAOYSA-N
XLogP3.97
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.97
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]pentanamide?
The IUPAC name of N-[[1-(4-fluorophenyl)indazol-5-yl]methyl]pentanamide (CID 45270098) is N-[[1-(4-fluorophenyl)indazol-5-yl]methyl]pentanamide.
What is the SMILES notation for N-[[1-(4-fluorophenyl)indazol-5-yl]methyl]pentanamide?
The canonical SMILES for N-[[1-(4-fluorophenyl)indazol-5-yl]methyl]pentanamide is CCCCC(=O)NCc1ccc2c(cnn2-c2ccc(F)cc2)c1.
What is the InChIKey of N-[[1-(4-fluorophenyl)indazol-5-yl]methyl]pentanamide?
The InChIKey is AGEHOAYDTWSQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O/c1-2-3-4-19(24)21-12-14-5-10-18-15(11-14)13-22-23(18)17-8-6-16(20)7-9-17/h5-11,13H,2-4,12H2,1H3,(H,21,24).
What are the key properties of N-[[1-(4-fluorophenyl)indazol-5-yl]methyl]pentanamide?
N-[[1-(4-fluorophenyl)indazol-5-yl]methyl]pentanamide has a molecular weight of 325.39 g/mol, XLogP of 3.97, 6 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]pentanamide is sourced from PubChem (CID 45270098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).