5-methyl-1-(5-methyl-1H-indazole-7-carbonyl)piperidine-3-carboxylic acid

C16H19N3O3 — CID 122118408

IUPAC5-methyl-1-(5-methyl-1H-indazole-7-carbonyl)piperidine-3-carboxylic acid
SMILESCc1cc(C(=O)N2CC(C)CC(C(=O)O)C2)c2[nH]ncc2c1
InChIInChI=1S/C16H19N3O3/c1-9-3-11-6-17-18-14(11)13(5-9)15(20)19-7-10(2)4-12(8-19)16(21)22/h3,5-6,10,12H,4,7-8H2,1-2H3,(H,17,18)(H,21,22)
InChIKeyUCYALELTJWCWJC-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.05
Rot. Bonds2

About 5-methyl-1-(5-methyl-1H-indazole-7-carbonyl)piperidine-3-carboxylic acid

5-methyl-1-(5-methyl-1H-indazole-7-carbonyl)piperidine-3-carboxylic acid (PubChem CID 122118408) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 5-methyl-1-(5-methyl-1H-indazole-7-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1-(5-methyl-1H-indazole-7-carbonyl)piperidine-3-carboxylic acid
PubChem CID122118408
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name5-methyl-1-(5-methyl-1H-indazole-7-carbonyl)piperidine-3-carboxylic acid
SMILESCc1cc(C(=O)N2CC(C)CC(C(=O)O)C2)c2[nH]ncc2c1
InChIInChI=1S/C16H19N3O3/c1-9-3-11-6-17-18-14(11)13(5-9)15(20)19-7-10(2)4-12(8-19)16(21)22/h3,5-6,10,12H,4,7-8H2,1-2H3,(H,17,18)(H,21,22)
InChIKeyUCYALELTJWCWJC-UHFFFAOYSA-N
XLogP2.05
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(5-methyl-1H-indazole-7-carbonyl)piperidine-3-carboxylic acid
CID 119173997
(5-methyl-1H-indazol-7-yl)-pyrrolidin-1-ylmethanone
CID 166182991
1-(3,6-dimethyl-2H-pyrazolo[3,4-b]pyridine-4-carbonyl)-5-methylpiperidine-3-carboxylic acid
CID 122117752
1-(2,4-dimethylbenzoyl)-5-methylpiperidine-3-carboxylic acid
CID 122119554
[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-(5-methyl-1H-indazol-7-yl)methanone
CID 97069676
1-[5-(4-methoxyphenyl)-1H-pyrazole-4-carbonyl]-5-methylpiperidine-3-carboxylic acid
CID 122119923
(2-cyclobutylmorpholin-4-yl)-(5-methyl-1H-indazol-7-yl)methanone
CID 128716620
1-[5-(3-chlorophenyl)-1H-pyrazole-4-carbonyl]-5-methylpiperidine-3-carboxylic acid
CID 122119592
1-(3-fluoro-5-methylbenzoyl)-5-methylpiperidine-3-carboxylic acid
CID 122118872
1-(1-benzyl-5-methylpyrazole-4-carbonyl)-5-methylpiperidine-3-carboxylic acid
CID 122118733
[2-(4-methoxyphenyl)morpholin-4-yl]-(5-methyl-1H-indazol-7-yl)methanone
CID 166249087
[3-[(6-ethylpyrimidin-4-yl)amino]azetidin-1-yl]-(5-methyl-1H-indazol-7-yl)methanone
CID 167967823

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(5-methyl-1H-indazole-7-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of 5-methyl-1-(5-methyl-1H-indazole-7-carbonyl)piperidine-3-carboxylic acid (CID 122118408) is 5-methyl-1-(5-methyl-1H-indazole-7-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 5-methyl-1-(5-methyl-1H-indazole-7-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for 5-methyl-1-(5-methyl-1H-indazole-7-carbonyl)piperidine-3-carboxylic acid is Cc1cc(C(=O)N2CC(C)CC(C(=O)O)C2)c2[nH]ncc2c1.
What is the InChIKey of 5-methyl-1-(5-methyl-1H-indazole-7-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is UCYALELTJWCWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-9-3-11-6-17-18-14(11)13(5-9)15(20)19-7-10(2)4-12(8-19)16(21)22/h3,5-6,10,12H,4,7-8H2,1-2H3,(H,17,18)(H,21,22).
What are the key properties of 5-methyl-1-(5-methyl-1H-indazole-7-carbonyl)piperidine-3-carboxylic acid?
5-methyl-1-(5-methyl-1H-indazole-7-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 301.35 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(5-methyl-1H-indazole-7-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 122118408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).