N-[[1-(4-fluorophenyl)indazol-5-yl]methyl]-2-propylpentanamide

C22H26FN3O — CID 45267515

IUPACN-[[1-(4-fluorophenyl)indazol-5-yl]methyl]-2-propylpentanamide
SMILESCCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2ccc(F)cc2)c1
InChIInChI=1S/C22H26FN3O/c1-3-5-17(6-4-2)22(27)24-14-16-7-12-21-18(13-16)15-25-26(21)20-10-8-19(23)9-11-20/h7-13,15,17H,3-6,14H2,1-2H3,(H,24,27)
InChIKeyLLMIBFIKVLEZID-UHFFFAOYSA-N
MW367.47 g/mol
LogP5.00
Rot. Bonds8

About N-[[1-(4-fluorophenyl)indazol-5-yl]methyl]-2-propylpentanamide

N-[[1-(4-fluorophenyl)indazol-5-yl]methyl]-2-propylpentanamide (PubChem CID 45267515) has the molecular formula C22H26FN3O and a molecular weight of 367.47 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)indazol-5-yl]methyl]-2-propylpentanamide.

Molecular Properties

Compound NameN-[[1-(4-fluorophenyl)indazol-5-yl]methyl]-2-propylpentanamide
PubChem CID45267515
Molecular FormulaC22H26FN3O
Molecular Weight367.47 g/mol
Exact Mass367.21
IUPAC NameN-[[1-(4-fluorophenyl)indazol-5-yl]methyl]-2-propylpentanamide
SMILESCCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2ccc(F)cc2)c1
InChIInChI=1S/C22H26FN3O/c1-3-5-17(6-4-2)22(27)24-14-16-7-12-21-18(13-16)15-25-26(21)20-10-8-19(23)9-11-20/h7-13,15,17H,3-6,14H2,1-2H3,(H,24,27)
InChIKeyLLMIBFIKVLEZID-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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Related Compounds

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CID 59251119
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CID 16749467
CID 16749467
CID 850351
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CID 20885360
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CID 20885372
CID 20885372

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluorophenyl)indazol-5-yl]methyl]-2-propylpentanamide?
The IUPAC name of N-[[1-(4-fluorophenyl)indazol-5-yl]methyl]-2-propylpentanamide (CID 45267515) is N-[[1-(4-fluorophenyl)indazol-5-yl]methyl]-2-propylpentanamide.
What is the SMILES notation for N-[[1-(4-fluorophenyl)indazol-5-yl]methyl]-2-propylpentanamide?
The canonical SMILES for N-[[1-(4-fluorophenyl)indazol-5-yl]methyl]-2-propylpentanamide is CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2ccc(F)cc2)c1.
What is the InChIKey of N-[[1-(4-fluorophenyl)indazol-5-yl]methyl]-2-propylpentanamide?
The InChIKey is LLMIBFIKVLEZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O/c1-3-5-17(6-4-2)22(27)24-14-16-7-12-21-18(13-16)15-25-26(21)20-10-8-19(23)9-11-20/h7-13,15,17H,3-6,14H2,1-2H3,(H,24,27).
What are the key properties of N-[[1-(4-fluorophenyl)indazol-5-yl]methyl]-2-propylpentanamide?
N-[[1-(4-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-(4-fluorophenyl)indazol-5-yl]methyl]-2-propylpentanamide is sourced from PubChem (CID 45267515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).