N-[[1-(3-fluorophenyl)indazol-5-yl]methyl]-2-propylpentanamide

C22H26FN3O — CID 45272656

IUPACN-[[1-(3-fluorophenyl)indazol-5-yl]methyl]-2-propylpentanamide
SMILESCCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2cccc(F)c2)c1
InChIInChI=1S/C22H26FN3O/c1-3-6-17(7-4-2)22(27)24-14-16-10-11-21-18(12-16)15-25-26(21)20-9-5-8-19(23)13-20/h5,8-13,15,17H,3-4,6-7,14H2,1-2H3,(H,24,27)
InChIKeyUGDCQBBWTYXMIS-UHFFFAOYSA-N
MW367.47 g/mol
LogP5.00
Rot. Bonds8

About N-[[1-(3-fluorophenyl)indazol-5-yl]methyl]-2-propylpentanamide

N-[[1-(3-fluorophenyl)indazol-5-yl]methyl]-2-propylpentanamide (PubChem CID 45272656) has the molecular formula C22H26FN3O and a molecular weight of 367.47 g/mol. Its IUPAC name is N-[[1-(3-fluorophenyl)indazol-5-yl]methyl]-2-propylpentanamide.

Molecular Properties

Compound NameN-[[1-(3-fluorophenyl)indazol-5-yl]methyl]-2-propylpentanamide
PubChem CID45272656
Molecular FormulaC22H26FN3O
Molecular Weight367.47 g/mol
Exact Mass367.21
IUPAC NameN-[[1-(3-fluorophenyl)indazol-5-yl]methyl]-2-propylpentanamide
SMILESCCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2cccc(F)c2)c1
InChIInChI=1S/C22H26FN3O/c1-3-6-17(7-4-2)22(27)24-14-16-10-11-21-18(12-16)15-25-26(21)20-9-5-8-19(23)13-20/h5,8-13,15,17H,3-4,6-7,14H2,1-2H3,(H,24,27)
InChIKeyUGDCQBBWTYXMIS-UHFFFAOYSA-N
XLogP5.00
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-fluorophenyl)indazol-5-yl]methyl]-2-propylpentanamide?
The IUPAC name of N-[[1-(3-fluorophenyl)indazol-5-yl]methyl]-2-propylpentanamide (CID 45272656) is N-[[1-(3-fluorophenyl)indazol-5-yl]methyl]-2-propylpentanamide.
What is the SMILES notation for N-[[1-(3-fluorophenyl)indazol-5-yl]methyl]-2-propylpentanamide?
The canonical SMILES for N-[[1-(3-fluorophenyl)indazol-5-yl]methyl]-2-propylpentanamide is CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2cccc(F)c2)c1.
What is the InChIKey of N-[[1-(3-fluorophenyl)indazol-5-yl]methyl]-2-propylpentanamide?
The InChIKey is UGDCQBBWTYXMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O/c1-3-6-17(7-4-2)22(27)24-14-16-10-11-21-18(12-16)15-25-26(21)20-9-5-8-19(23)13-20/h5,8-13,15,17H,3-4,6-7,14H2,1-2H3,(H,24,27).
What are the key properties of N-[[1-(3-fluorophenyl)indazol-5-yl]methyl]-2-propylpentanamide?
N-[[1-(3-fluorophenyl)indazol-5-yl]methyl]-2-propylpentanamide has a molecular weight of 367.47 g/mol, XLogP of 5.00, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-fluorophenyl)indazol-5-yl]methyl]-2-propylpentanamide is sourced from PubChem (CID 45272656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).