7-amino-5-ethyl-1-(1-methylindazol-3-yl)heptan-2-one

C17H25N3O — CID 116578212

IUPAC7-amino-5-ethyl-1-(1-methylindazol-3-yl)heptan-2-one
SMILESCCC(CCN)CCC(=O)Cc1nn(C)c2ccccc12
InChIInChI=1S/C17H25N3O/c1-3-13(10-11-18)8-9-14(21)12-16-15-6-4-5-7-17(15)20(2)19-16/h4-7,13H,3,8-12,18H2,1-2H3
InChIKeyZOIRKTTWMNUSHR-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.84
Rot. Bonds8

About 7-amino-5-ethyl-1-(1-methylindazol-3-yl)heptan-2-one

7-amino-5-ethyl-1-(1-methylindazol-3-yl)heptan-2-one (PubChem CID 116578212) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 7-amino-5-ethyl-1-(1-methylindazol-3-yl)heptan-2-one.

Molecular Properties

Compound Name7-amino-5-ethyl-1-(1-methylindazol-3-yl)heptan-2-one
PubChem CID116578212
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name7-amino-5-ethyl-1-(1-methylindazol-3-yl)heptan-2-one
SMILESCCC(CCN)CCC(=O)Cc1nn(C)c2ccccc12
InChIInChI=1S/C17H25N3O/c1-3-13(10-11-18)8-9-14(21)12-16-15-6-4-5-7-17(15)20(2)19-16/h4-7,13H,3,8-12,18H2,1-2H3
InChIKeyZOIRKTTWMNUSHR-UHFFFAOYSA-N
XLogP2.84
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-1-(1-methylindazol-3-yl)hexan-2-one
CID 115778384
2-(1-methylindazol-3-yl)acetamide
CID 67465474
3-(aminomethyl)-1-(1-methylindazol-3-yl)hexan-2-one
CID 116574544
1-(1-methylindazol-3-yl)-4-pyridin-4-ylbutan-2-one
CID 105111013
6-amino-1-(1-ethylindazol-3-yl)hexan-2-one
CID 116572138
7-amino-1-(1-ethylindazol-3-yl)heptan-2-one
CID 116550158
1-amino-3-(1-methylindazol-3-yl)-1-thiophen-2-ylpropan-2-one
CID 116601574
3-ethoxy-1-(1-methylindazol-3-yl)hexan-2-one
CID 116707739
1-(1-methylindazol-3-yl)-3-thiophen-3-ylpropan-2-one
CID 105111099
1-(1-methylindazol-3-yl)-4-piperidin-2-ylbutan-2-one
CID 116563673
1-(1-methylindazol-3-yl)-3-piperazin-1-ylpropan-2-one
CID 116559545
3-amino-1-(1-methylindazol-3-yl)hex-5-en-2-one
CID 116606953

Frequently Asked Questions

What is the IUPAC name of 7-amino-5-ethyl-1-(1-methylindazol-3-yl)heptan-2-one?
The IUPAC name of 7-amino-5-ethyl-1-(1-methylindazol-3-yl)heptan-2-one (CID 116578212) is 7-amino-5-ethyl-1-(1-methylindazol-3-yl)heptan-2-one.
What is the SMILES notation for 7-amino-5-ethyl-1-(1-methylindazol-3-yl)heptan-2-one?
The canonical SMILES for 7-amino-5-ethyl-1-(1-methylindazol-3-yl)heptan-2-one is CCC(CCN)CCC(=O)Cc1nn(C)c2ccccc12.
What is the InChIKey of 7-amino-5-ethyl-1-(1-methylindazol-3-yl)heptan-2-one?
The InChIKey is ZOIRKTTWMNUSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-3-13(10-11-18)8-9-14(21)12-16-15-6-4-5-7-17(15)20(2)19-16/h4-7,13H,3,8-12,18H2,1-2H3.
What are the key properties of 7-amino-5-ethyl-1-(1-methylindazol-3-yl)heptan-2-one?
7-amino-5-ethyl-1-(1-methylindazol-3-yl)heptan-2-one has a molecular weight of 287.41 g/mol, XLogP of 2.84, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-5-ethyl-1-(1-methylindazol-3-yl)heptan-2-one is sourced from PubChem (CID 116578212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).