6-(1H-indazol-4-ylamino)-6-oxohexanoic acid

C13H15N3O3 — CID 54866853

IUPAC6-(1H-indazol-4-ylamino)-6-oxohexanoic acid
SMILESO=C(O)CCCCC(=O)Nc1cccc2[nH]ncc12
InChIInChI=1S/C13H15N3O3/c17-12(6-1-2-7-13(18)19)15-10-4-3-5-11-9(10)8-14-16-11/h3-5,8H,1-2,6-7H2,(H,14,16)(H,15,17)(H,18,19)
InChIKeyGGDBYIQYQBTSHZ-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.15
Rot. Bonds6

About 6-(1H-indazol-4-ylamino)-6-oxohexanoic acid

6-(1H-indazol-4-ylamino)-6-oxohexanoic acid (PubChem CID 54866853) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 6-(1H-indazol-4-ylamino)-6-oxohexanoic acid.

Molecular Properties

Compound Name6-(1H-indazol-4-ylamino)-6-oxohexanoic acid
PubChem CID54866853
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name6-(1H-indazol-4-ylamino)-6-oxohexanoic acid
SMILESO=C(O)CCCCC(=O)Nc1cccc2[nH]ncc12
InChIInChI=1S/C13H15N3O3/c17-12(6-1-2-7-13(18)19)15-10-4-3-5-11-9(10)8-14-16-11/h3-5,8H,1-2,6-7H2,(H,14,16)(H,15,17)(H,18,19)
InChIKeyGGDBYIQYQBTSHZ-UHFFFAOYSA-N
XLogP2.15
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-(1H-indazol-4-yl)butanamide
CID 63307555
N-(1H-indazol-4-yl)pentanamide
CID 110479421
N-(1H-indazol-4-yl)propanamide
CID 61035756
3-(dimethylamino)-N-(1H-indazol-4-yl)propanamide
CID 110481555
3-(tert-butylamino)-N-(1H-indazol-4-yl)propanamide
CID 54863202
2-(dimethylamino)-N-(1H-indazol-4-yl)acetamide
CID 110479732
1-[2-(1H-indazol-4-ylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 60933243
2-(2-aminophenyl)-N-(1H-indazol-4-yl)acetamide
CID 61117193
(E)-N-(1H-indazol-4-yl)but-2-enamide
CID 110470186
3-bromo-N-(1H-indazol-4-yl)prop-2-ynamide
CID 130664762
4-(bromomethyl)-N-(1H-indazol-4-yl)benzamide
CID 102851224
5-(5-carboxypentanoylamino)-1H-pyrazole-4-carboxylic acid
CID 110483477

Frequently Asked Questions

What is the IUPAC name of 6-(1H-indazol-4-ylamino)-6-oxohexanoic acid?
The IUPAC name of 6-(1H-indazol-4-ylamino)-6-oxohexanoic acid (CID 54866853) is 6-(1H-indazol-4-ylamino)-6-oxohexanoic acid.
What is the SMILES notation for 6-(1H-indazol-4-ylamino)-6-oxohexanoic acid?
The canonical SMILES for 6-(1H-indazol-4-ylamino)-6-oxohexanoic acid is O=C(O)CCCCC(=O)Nc1cccc2[nH]ncc12.
What is the InChIKey of 6-(1H-indazol-4-ylamino)-6-oxohexanoic acid?
The InChIKey is GGDBYIQYQBTSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c17-12(6-1-2-7-13(18)19)15-10-4-3-5-11-9(10)8-14-16-11/h3-5,8H,1-2,6-7H2,(H,14,16)(H,15,17)(H,18,19).
What are the key properties of 6-(1H-indazol-4-ylamino)-6-oxohexanoic acid?
6-(1H-indazol-4-ylamino)-6-oxohexanoic acid has a molecular weight of 261.28 g/mol, XLogP of 2.15, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-indazol-4-ylamino)-6-oxohexanoic acid is sourced from PubChem (CID 54866853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).