2-[6-methoxy-3-[2-(3-methylphenyl)acetyl]indazol-1-yl]-N,N-dipropylacetamide

C25H31N3O3 — CID 142895372

IUPAC2-[6-methoxy-3-[2-(3-methylphenyl)acetyl]indazol-1-yl]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)Cn1nc(C(=O)Cc2cccc(C)c2)c2ccc(OC)cc21
InChIInChI=1S/C25H31N3O3/c1-5-12-27(13-6-2)24(30)17-28-22-16-20(31-4)10-11-21(22)25(26-28)23(29)15-19-9-7-8-18(3)14-19/h7-11,14,16H,5-6,12-13,15,17H2,1-4H3
InChIKeyFOCIMXHXJBZIBQ-UHFFFAOYSA-N
MW421.54 g/mol
LogP4.43
Rot. Bonds10

About 2-[6-methoxy-3-[2-(3-methylphenyl)acetyl]indazol-1-yl]-N,N-dipropylacetamide

2-[6-methoxy-3-[2-(3-methylphenyl)acetyl]indazol-1-yl]-N,N-dipropylacetamide (PubChem CID 142895372) has the molecular formula C25H31N3O3 and a molecular weight of 421.54 g/mol. Its IUPAC name is 2-[6-methoxy-3-[2-(3-methylphenyl)acetyl]indazol-1-yl]-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-[6-methoxy-3-[2-(3-methylphenyl)acetyl]indazol-1-yl]-N,N-dipropylacetamide
PubChem CID142895372
Molecular FormulaC25H31N3O3
Molecular Weight421.54 g/mol
Exact Mass421.24
IUPAC Name2-[6-methoxy-3-[2-(3-methylphenyl)acetyl]indazol-1-yl]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)Cn1nc(C(=O)Cc2cccc(C)c2)c2ccc(OC)cc21
InChIInChI=1S/C25H31N3O3/c1-5-12-27(13-6-2)24(30)17-28-22-16-20(31-4)10-11-21(22)25(26-28)23(29)15-19-9-7-8-18(3)14-19/h7-11,14,16H,5-6,12-13,15,17H2,1-4H3
InChIKeyFOCIMXHXJBZIBQ-UHFFFAOYSA-N
XLogP4.43
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-2-[3-(2,2-dimethylpropanoyl)-6-methoxyindazol-1-yl]-N-propylacetamide
CID 11740930
N,N-dibutyl-2-(6-methoxy-3-methylindazol-1-yl)acetamide
CID 143018288
N-ethyl-N-[3-[4-[3-[ethyl-[2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetyl]amino]propyl]piperazin-1-yl]propyl]-2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetamide
CID 24965110
N-butyl-N-ethyl-2-[3-[6-(hydroxymethyl)pyridine-3-carbonyl]-6-methoxyindazol-1-yl]acetamide
CID 10070999
1-(2,4-dimethoxyphenyl)-2-(3-methylphenyl)ethanone
CID 62387371
4-[[2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetyl]-(3-methylbutyl)amino]butyl 2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetate
CID 90784908
[1-[1-[2-[3,3-dimethylbutyl(ethyl)amino]-2-oxoethyl]-6-methoxyindazol-3-yl]-2-methylprop-1-enyl] dihydrogen phosphate
CID 11525606
1-(3-benzoyl-6-methoxyindazol-1-yl)propan-2-one
CID 71010883
2-[3-(4-methoxybenzoyl)-6-methylindazol-1-yl]acetic acid
CID 170857578
2-[3-[6-(2-hydroxyethoxy)pyridine-3-carbonyl]-6-methoxyindazol-1-yl]-N,N-bis(3-methylbutyl)acetamide
CID 11756077
3-(3-methoxyphenyl)-N,N-dipropylpropanamide
CID 86913065
2-[2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazol-1-yl]-N,N-dipropylacetamide
CID 16996377

Frequently Asked Questions

What is the IUPAC name of 2-[6-methoxy-3-[2-(3-methylphenyl)acetyl]indazol-1-yl]-N,N-dipropylacetamide?
The IUPAC name of 2-[6-methoxy-3-[2-(3-methylphenyl)acetyl]indazol-1-yl]-N,N-dipropylacetamide (CID 142895372) is 2-[6-methoxy-3-[2-(3-methylphenyl)acetyl]indazol-1-yl]-N,N-dipropylacetamide.
What is the SMILES notation for 2-[6-methoxy-3-[2-(3-methylphenyl)acetyl]indazol-1-yl]-N,N-dipropylacetamide?
The canonical SMILES for 2-[6-methoxy-3-[2-(3-methylphenyl)acetyl]indazol-1-yl]-N,N-dipropylacetamide is CCCN(CCC)C(=O)Cn1nc(C(=O)Cc2cccc(C)c2)c2ccc(OC)cc21.
What is the InChIKey of 2-[6-methoxy-3-[2-(3-methylphenyl)acetyl]indazol-1-yl]-N,N-dipropylacetamide?
The InChIKey is FOCIMXHXJBZIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O3/c1-5-12-27(13-6-2)24(30)17-28-22-16-20(31-4)10-11-21(22)25(26-28)23(29)15-19-9-7-8-18(3)14-19/h7-11,14,16H,5-6,12-13,15,17H2,1-4H3.
What are the key properties of 2-[6-methoxy-3-[2-(3-methylphenyl)acetyl]indazol-1-yl]-N,N-dipropylacetamide?
2-[6-methoxy-3-[2-(3-methylphenyl)acetyl]indazol-1-yl]-N,N-dipropylacetamide has a molecular weight of 421.54 g/mol, XLogP of 4.43, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-methoxy-3-[2-(3-methylphenyl)acetyl]indazol-1-yl]-N,N-dipropylacetamide is sourced from PubChem (CID 142895372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).