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

C23H29N3O2 — CID 45268412

IUPACN-[[1-(3-methoxyphenyl)indazol-5-yl]methyl]-2-propylpentanamide
SMILESCCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2cccc(OC)c2)c1
InChIInChI=1S/C23H29N3O2/c1-4-7-18(8-5-2)23(27)24-15-17-11-12-22-19(13-17)16-25-26(22)20-9-6-10-21(14-20)28-3/h6,9-14,16,18H,4-5,7-8,15H2,1-3H3,(H,24,27)
InChIKeyUPMCSVWRMKPGAO-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.87
Rot. Bonds9

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

N-[[1-(3-methoxyphenyl)indazol-5-yl]methyl]-2-propylpentanamide (PubChem CID 45268412) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-[[1-(3-methoxyphenyl)indazol-5-yl]methyl]-2-propylpentanamide.

Molecular Properties

Compound NameN-[[1-(3-methoxyphenyl)indazol-5-yl]methyl]-2-propylpentanamide
PubChem CID45268412
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-[[1-(3-methoxyphenyl)indazol-5-yl]methyl]-2-propylpentanamide
SMILESCCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2cccc(OC)c2)c1
InChIInChI=1S/C23H29N3O2/c1-4-7-18(8-5-2)23(27)24-15-17-11-12-22-19(13-17)16-25-26(22)20-9-6-10-21(14-20)28-3/h6,9-14,16,18H,4-5,7-8,15H2,1-3H3,(H,24,27)
InChIKeyUPMCSVWRMKPGAO-UHFFFAOYSA-N
XLogP4.87
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(2-Methoxyphenyl)-1H-indazol-5-yl]methyl]-2-propylpentanamide
CID 44250034
2-(3-methoxy-4-((methylamino)methyl)phenyl)-2H-indazole-7-carboxamide
CID 46226375
2-indol-1-yl-N-[1-(3-methoxyphenyl)pyrazol-4-yl]acetamide
CID 141484720
N-(3-methoxyphenyl)-N'-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]propanediamide
CID 141764130
N~1~-(3,4-dimethoxyphenyl)-2-(1H-indazol-1-yl)acetamide
CID 20885229
N-[(4-ethoxyphenyl)methyl]-5-(5-methyl-1H-indazol-1-yl)-5-oxopentanamide
CID 22510410
N-[1-(4-methoxyphenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-yl]-4-pentenamide
CID 23723549
N-[[1-(4-methoxyphenyl)indazol-5-yl]methyl]-2-propylpentanamide
CID 44250105
4-(3,5-dimethylphenoxy)-5-(indazol-1-ylmethyl)-3-iodo-6-methyl-1H-pyridin-2-one
CID 44596563
N-[[1-(6-methoxy-3-pyridinyl)indazol-5-yl]methyl]-2-propylpentanamide
CID 45270116
N-[[1-(2-methoxy-3-pyridinyl)indazol-5-yl]methyl]-2-propylpentanamide
CID 45273599
4-methoxy-2-(4-((methylamino)methyl)phenyl)-2H-indazole-7-carboxamide
CID 46226399

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methoxyphenyl)indazol-5-yl]methyl]-2-propylpentanamide?
The IUPAC name of N-[[1-(3-methoxyphenyl)indazol-5-yl]methyl]-2-propylpentanamide (CID 45268412) is N-[[1-(3-methoxyphenyl)indazol-5-yl]methyl]-2-propylpentanamide.
What is the SMILES notation for N-[[1-(3-methoxyphenyl)indazol-5-yl]methyl]-2-propylpentanamide?
The canonical SMILES for N-[[1-(3-methoxyphenyl)indazol-5-yl]methyl]-2-propylpentanamide is CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2cccc(OC)c2)c1.
What is the InChIKey of N-[[1-(3-methoxyphenyl)indazol-5-yl]methyl]-2-propylpentanamide?
The InChIKey is UPMCSVWRMKPGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-4-7-18(8-5-2)23(27)24-15-17-11-12-22-19(13-17)16-25-26(22)20-9-6-10-21(14-20)28-3/h6,9-14,16,18H,4-5,7-8,15H2,1-3H3,(H,24,27).
What are the key properties of N-[[1-(3-methoxyphenyl)indazol-5-yl]methyl]-2-propylpentanamide?
N-[[1-(3-methoxyphenyl)indazol-5-yl]methyl]-2-propylpentanamide has a molecular weight of 379.50 g/mol, XLogP of 4.87, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-methoxyphenyl)indazol-5-yl]methyl]-2-propylpentanamide is sourced from PubChem (CID 45268412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).