1-(5-bromo-1H-indazole-3-carbonyl)-5-methylpiperidine-3-carboxylic acid

C15H16BrN3O3 — CID 122118304

IUPAC1-(5-bromo-1H-indazole-3-carbonyl)-5-methylpiperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)c2n[nH]c3ccc(Br)cc23)C1
InChIInChI=1S/C15H16BrN3O3/c1-8-4-9(15(21)22)7-19(6-8)14(20)13-11-5-10(16)2-3-12(11)17-18-13/h2-3,5,8-9H,4,6-7H2,1H3,(H,17,18)(H,21,22)
InChIKeyQTGDXHYBTLKFAV-UHFFFAOYSA-N
MW366.22 g/mol
LogP2.51
Rot. Bonds2

About 1-(5-bromo-1H-indazole-3-carbonyl)-5-methylpiperidine-3-carboxylic acid

1-(5-bromo-1H-indazole-3-carbonyl)-5-methylpiperidine-3-carboxylic acid (PubChem CID 122118304) has the molecular formula C15H16BrN3O3 and a molecular weight of 366.22 g/mol. Its IUPAC name is 1-(5-bromo-1H-indazole-3-carbonyl)-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(5-bromo-1H-indazole-3-carbonyl)-5-methylpiperidine-3-carboxylic acid
PubChem CID122118304
Molecular FormulaC15H16BrN3O3
Molecular Weight366.22 g/mol
Exact Mass365.04
IUPAC Name1-(5-bromo-1H-indazole-3-carbonyl)-5-methylpiperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)c2n[nH]c3ccc(Br)cc23)C1
InChIInChI=1S/C15H16BrN3O3/c1-8-4-9(15(21)22)7-19(6-8)14(20)13-11-5-10(16)2-3-12(11)17-18-13/h2-3,5,8-9H,4,6-7H2,1H3,(H,17,18)(H,21,22)
InChIKeyQTGDXHYBTLKFAV-UHFFFAOYSA-N
XLogP2.51
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.22
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromo-1H-indazol-3-yl)-[(3S)-3-(methylamino)piperidin-1-yl]methanone
CID 124612175
(3S)-1-(5-methyl-1H-indazole-3-carbonyl)piperidine-3-carboxylic acid
CID 124698920
(5-bromo-1H-indazol-3-yl)-(1,4-diazepan-1-yl)methanone
CID 119416903
(5-bromo-1H-indazol-3-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119646742
[3-(1-aminoethyl)piperidin-1-yl]-(5-bromo-1H-indazol-3-yl)methanone;hydrochloride
CID 119595202
1-(4-bromo-3-phenyl-1H-pyrazole-5-carbonyl)-5-methylpiperidine-3-carboxylic acid
CID 122118485
1-(5-bromo-1H-indazole-3-carbonyl)-N-methylpiperidine-2-carboxamide
CID 136524888
(5-amino-1H-indazol-3-yl)-(3,4-dimethylpiperazin-1-yl)methanone
CID 63604993
(5-amino-1H-indazol-3-yl)-(azepan-1-yl)methanone
CID 54944846
(5-amino-1H-indazol-3-yl)-piperidin-1-ylmethanone
CID 54944980
1-(4,5-dimethyl-1H-indole-2-carbonyl)-5-methylpiperidine-3-carboxylic acid
CID 122117522
5-methyl-1-(3-methylpyridine-2-carbonyl)piperidine-3-carboxylic acid
CID 122117858

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-1H-indazole-3-carbonyl)-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(5-bromo-1H-indazole-3-carbonyl)-5-methylpiperidine-3-carboxylic acid (CID 122118304) is 1-(5-bromo-1H-indazole-3-carbonyl)-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(5-bromo-1H-indazole-3-carbonyl)-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(5-bromo-1H-indazole-3-carbonyl)-5-methylpiperidine-3-carboxylic acid is CC1CC(C(=O)O)CN(C(=O)c2n[nH]c3ccc(Br)cc23)C1.
What is the InChIKey of 1-(5-bromo-1H-indazole-3-carbonyl)-5-methylpiperidine-3-carboxylic acid?
The InChIKey is QTGDXHYBTLKFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O3/c1-8-4-9(15(21)22)7-19(6-8)14(20)13-11-5-10(16)2-3-12(11)17-18-13/h2-3,5,8-9H,4,6-7H2,1H3,(H,17,18)(H,21,22).
What are the key properties of 1-(5-bromo-1H-indazole-3-carbonyl)-5-methylpiperidine-3-carboxylic acid?
1-(5-bromo-1H-indazole-3-carbonyl)-5-methylpiperidine-3-carboxylic acid has a molecular weight of 366.22 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-1H-indazole-3-carbonyl)-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122118304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).