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

C15H17N3O3 — CID 124698920

IUPAC(3S)-1-(5-methyl-1H-indazole-3-carbonyl)piperidine-3-carboxylic acid
SMILESCc1ccc2[nH]nc(C(=O)N3CCC[C@H](C(=O)O)C3)c2c1
InChIInChI=1S/C15H17N3O3/c1-9-4-5-12-11(7-9)13(17-16-12)14(19)18-6-2-3-10(8-18)15(20)21/h4-5,7,10H,2-3,6,8H2,1H3,(H,16,17)(H,20,21)/t10-/m0/s1
InChIKeyKGADMRYIGYNRGN-JTQLQIEISA-N
MW287.32 g/mol
LogP1.81
Rot. Bonds2

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

(3S)-1-(5-methyl-1H-indazole-3-carbonyl)piperidine-3-carboxylic acid (PubChem CID 124698920) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is (3S)-1-(5-methyl-1H-indazole-3-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-(5-methyl-1H-indazole-3-carbonyl)piperidine-3-carboxylic acid
PubChem CID124698920
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name(3S)-1-(5-methyl-1H-indazole-3-carbonyl)piperidine-3-carboxylic acid
SMILESCc1ccc2[nH]nc(C(=O)N3CCC[C@H](C(=O)O)C3)c2c1
InChIInChI=1S/C15H17N3O3/c1-9-4-5-12-11(7-9)13(17-16-12)14(19)18-6-2-3-10(8-18)15(20)21/h4-5,7,10H,2-3,6,8H2,1H3,(H,16,17)(H,20,21)/t10-/m0/s1
InChIKeyKGADMRYIGYNRGN-JTQLQIEISA-N
XLogP1.81
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S)-1-(5-methyl-1H-indazole-3-carbonyl)piperidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3S)-3-aminopyrrolidin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone
CID 124698924
[(3S)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone
CID 95212418
(5-methyl-1H-indazol-3-yl)-(4-phenylpiperazin-1-yl)methanone
CID 78859047
1-(1H-indazole-3-carbonyl)-N-(4-methylphenyl)piperidine-3-carboxamide
CID 121354980
(5-methyl-1H-indazol-3-yl)-morpholin-4-ylmethanone
CID 78869833
(3R)-1-(2-fluoro-5-methylbenzoyl)piperidine-3-carboxylic acid
CID 81119715
3-(5-methyl-1H-indazole-3-carbonyl)-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocin-6-one
CID 169170579
(3S)-1-[5-(4-methylphenyl)-1,3-oxazole-4-carbonyl]piperidine-3-carboxylic acid
CID 119173905
methyl (3S)-1-(1H-indazole-3-carbonyl)piperidine-3-carboxylate
CID 78918912
(5-amino-1H-indazol-3-yl)-piperidin-1-ylmethanone
CID 54944980
(5-methyl-1H-indazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 78858969
(3S)-1-(4-methylbenzoyl)piperidine-3-carboxylic acid
CID 42257342

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(5-methyl-1H-indazole-3-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-(5-methyl-1H-indazole-3-carbonyl)piperidine-3-carboxylic acid (CID 124698920) is (3S)-1-(5-methyl-1H-indazole-3-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-(5-methyl-1H-indazole-3-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-(5-methyl-1H-indazole-3-carbonyl)piperidine-3-carboxylic acid is Cc1ccc2[nH]nc(C(=O)N3CCC[C@H](C(=O)O)C3)c2c1.
What is the InChIKey of (3S)-1-(5-methyl-1H-indazole-3-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is KGADMRYIGYNRGN-JTQLQIEISA-N. The full InChI is InChI=1S/C15H17N3O3/c1-9-4-5-12-11(7-9)13(17-16-12)14(19)18-6-2-3-10(8-18)15(20)21/h4-5,7,10H,2-3,6,8H2,1H3,(H,16,17)(H,20,21)/t10-/m0/s1.
What are the key properties of (3S)-1-(5-methyl-1H-indazole-3-carbonyl)piperidine-3-carboxylic acid?
(3S)-1-(5-methyl-1H-indazole-3-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 287.32 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(5-methyl-1H-indazole-3-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 124698920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).