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

C23H28FN3O — CID 45269254

IUPACN-[[1-(4-fluorophenyl)indazol-5-yl]methyl]-N-methyl-2-propylpentanamide
SMILESCCCC(CCC)C(=O)N(C)Cc1ccc2c(cnn2-c2ccc(F)cc2)c1
InChIInChI=1S/C23H28FN3O/c1-4-6-18(7-5-2)23(28)26(3)16-17-8-13-22-19(14-17)15-25-27(22)21-11-9-20(24)10-12-21/h8-15,18H,4-7,16H2,1-3H3
InChIKeyLGWVQZFCSFTXQP-UHFFFAOYSA-N
MW381.50 g/mol
LogP5.34
Rot. Bonds8

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

N-[[1-(4-fluorophenyl)indazol-5-yl]methyl]-N-methyl-2-propylpentanamide (PubChem CID 45269254) has the molecular formula C23H28FN3O and a molecular weight of 381.50 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)indazol-5-yl]methyl]-N-methyl-2-propylpentanamide.

Molecular Properties

Compound NameN-[[1-(4-fluorophenyl)indazol-5-yl]methyl]-N-methyl-2-propylpentanamide
PubChem CID45269254
Molecular FormulaC23H28FN3O
Molecular Weight381.50 g/mol
Exact Mass381.22
IUPAC NameN-[[1-(4-fluorophenyl)indazol-5-yl]methyl]-N-methyl-2-propylpentanamide
SMILESCCCC(CCC)C(=O)N(C)Cc1ccc2c(cnn2-c2ccc(F)cc2)c1
InChIInChI=1S/C23H28FN3O/c1-4-6-18(7-5-2)23(28)26(3)16-17-8-13-22-19(14-17)15-25-27(22)21-11-9-20(24)10-12-21/h8-15,18H,4-7,16H2,1-3H3
InChIKeyLGWVQZFCSFTXQP-UHFFFAOYSA-N
XLogP5.34
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.50
LogP ≤ 55.34
H-Bond Donors ≤ 50
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]-N-methyl-2-propylpentanamide?
The IUPAC name of N-[[1-(4-fluorophenyl)indazol-5-yl]methyl]-N-methyl-2-propylpentanamide (CID 45269254) is N-[[1-(4-fluorophenyl)indazol-5-yl]methyl]-N-methyl-2-propylpentanamide.
What is the SMILES notation for N-[[1-(4-fluorophenyl)indazol-5-yl]methyl]-N-methyl-2-propylpentanamide?
The canonical SMILES for N-[[1-(4-fluorophenyl)indazol-5-yl]methyl]-N-methyl-2-propylpentanamide is CCCC(CCC)C(=O)N(C)Cc1ccc2c(cnn2-c2ccc(F)cc2)c1.
What is the InChIKey of N-[[1-(4-fluorophenyl)indazol-5-yl]methyl]-N-methyl-2-propylpentanamide?
The InChIKey is LGWVQZFCSFTXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O/c1-4-6-18(7-5-2)23(28)26(3)16-17-8-13-22-19(14-17)15-25-27(22)21-11-9-20(24)10-12-21/h8-15,18H,4-7,16H2,1-3H3.
What are the key properties of N-[[1-(4-fluorophenyl)indazol-5-yl]methyl]-N-methyl-2-propylpentanamide?
N-[[1-(4-fluorophenyl)indazol-5-yl]methyl]-N-methyl-2-propylpentanamide has a molecular weight of 381.50 g/mol, XLogP of 5.34, 8 rotatable bonds, 0 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]-N-methyl-2-propylpentanamide is sourced from PubChem (CID 45269254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).