1-propan-2-ylspiro[4H-indazole-5,4'-piperidine]-1'-carboxylic acid

C15H21N3O2 — CID 66835528

IUPAC1-propan-2-ylspiro[4H-indazole-5,4'-piperidine]-1'-carboxylic acid
SMILESCC(C)n1ncc2c1C=CC1(CCN(C(=O)O)CC1)C2
InChIInChI=1S/C15H21N3O2/c1-11(2)18-13-3-4-15(9-12(13)10-16-18)5-7-17(8-6-15)14(19)20/h3-4,10-11H,5-9H2,1-2H3,(H,19,20)
InChIKeyAWKHJCQFMLSJSL-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.79
Rot. Bonds1

About 1-propan-2-ylspiro[4H-indazole-5,4'-piperidine]-1'-carboxylic acid

1-propan-2-ylspiro[4H-indazole-5,4'-piperidine]-1'-carboxylic acid (PubChem CID 66835528) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-propan-2-ylspiro[4H-indazole-5,4'-piperidine]-1'-carboxylic acid.

Molecular Properties

Compound Name1-propan-2-ylspiro[4H-indazole-5,4'-piperidine]-1'-carboxylic acid
PubChem CID66835528
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-propan-2-ylspiro[4H-indazole-5,4'-piperidine]-1'-carboxylic acid
SMILESCC(C)n1ncc2c1C=CC1(CCN(C(=O)O)CC1)C2
InChIInChI=1S/C15H21N3O2/c1-11(2)18-13-3-4-15(9-12(13)10-16-18)5-7-17(8-6-15)14(19)20/h3-4,10-11H,5-9H2,1-2H3,(H,19,20)
InChIKeyAWKHJCQFMLSJSL-UHFFFAOYSA-N
XLogP2.79
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-propan-2-ylspiro[4H-indazole-5,4'-piperidine]-1'-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

1-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylic acid
CID 118561430
6-[1-Methyl-5-(trifluoromethyl)pyrazol-4-yl]-2-azaspiro[3.4]oct-6-ene-2-carboxylic acid
CID 170318673
1-(1-benzyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)ethanone
CID 52024652
Tert-butyl 1-isopropyl-1,4-dihydrospiro[indazole-5,4'-piperidine]-1'-carboxylate
CID 57337073
tert-butyl 1-(1,3-dihydroxypropan-2-yl)spiro[4H-indazole-5,4'-piperidine]-1'-carboxylate
CID 58252529
tert-butyl 1-(2-ethoxy-2-oxoethyl)spiro[4H-indazole-5,4'-piperidine]-1'-carboxylate
CID 58252546
tert-butyl 1-(oxetan-3-yl)spiro[4H-indazole-5,4'-piperidine]-1'-carboxylate
CID 58252587
1-(oxetan-3-yl)spiro[4H-indazole-5,4'-piperidine]-1'-carboxylic acid
CID 66835556
1-(2-ethoxy-2-oxoethyl)spiro[4H-indazole-5,4'-piperidine]-1'-carboxylic acid
CID 66835562
1'-tert-butyl-1-propan-2-ylspiro[4H-indazole-5,4'-piperidine]
CID 67151281
4-(3-Phenylpyrazol-1-yl)piperidine-1-carboxylic acid
CID 68220118
3-(2-Methylpyrazol-3-yl)piperidine-1-carboxylic acid
CID 68312951

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylspiro[4H-indazole-5,4'-piperidine]-1'-carboxylic acid?
The IUPAC name of 1-propan-2-ylspiro[4H-indazole-5,4'-piperidine]-1'-carboxylic acid (CID 66835528) is 1-propan-2-ylspiro[4H-indazole-5,4'-piperidine]-1'-carboxylic acid.
What is the SMILES notation for 1-propan-2-ylspiro[4H-indazole-5,4'-piperidine]-1'-carboxylic acid?
The canonical SMILES for 1-propan-2-ylspiro[4H-indazole-5,4'-piperidine]-1'-carboxylic acid is CC(C)n1ncc2c1C=CC1(CCN(C(=O)O)CC1)C2.
What is the InChIKey of 1-propan-2-ylspiro[4H-indazole-5,4'-piperidine]-1'-carboxylic acid?
The InChIKey is AWKHJCQFMLSJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-11(2)18-13-3-4-15(9-12(13)10-16-18)5-7-17(8-6-15)14(19)20/h3-4,10-11H,5-9H2,1-2H3,(H,19,20).
What are the key properties of 1-propan-2-ylspiro[4H-indazole-5,4'-piperidine]-1'-carboxylic acid?
1-propan-2-ylspiro[4H-indazole-5,4'-piperidine]-1'-carboxylic acid has a molecular weight of 275.35 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylspiro[4H-indazole-5,4'-piperidine]-1'-carboxylic acid is sourced from PubChem (CID 66835528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).