3-(1H-indazole-6-carbonylamino)cyclohexane-1-carboxylic acid

C15H17N3O3 — CID 63043468

IUPAC3-(1H-indazole-6-carbonylamino)cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCCC(C(=O)O)C1)c1ccc2cn[nH]c2c1
InChIInChI=1S/C15H17N3O3/c19-14(9-4-5-11-8-16-18-13(11)7-9)17-12-3-1-2-10(6-12)15(20)21/h4-5,7-8,10,12H,1-3,6H2,(H,16,18)(H,17,19)(H,20,21)
InChIKeyFDYMYJAKVKMXLX-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.94
Rot. Bonds3

About 3-(1H-indazole-6-carbonylamino)cyclohexane-1-carboxylic acid

3-(1H-indazole-6-carbonylamino)cyclohexane-1-carboxylic acid (PubChem CID 63043468) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 3-(1H-indazole-6-carbonylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-(1H-indazole-6-carbonylamino)cyclohexane-1-carboxylic acid
PubChem CID63043468
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name3-(1H-indazole-6-carbonylamino)cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCCC(C(=O)O)C1)c1ccc2cn[nH]c2c1
InChIInChI=1S/C15H17N3O3/c19-14(9-4-5-11-8-16-18-13(11)7-9)17-12-3-1-2-10(6-12)15(20)21/h4-5,7-8,10,12H,1-3,6H2,(H,16,18)(H,17,19)(H,20,21)
InChIKeyFDYMYJAKVKMXLX-UHFFFAOYSA-N
XLogP1.94
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1H-indazole-5-carbonylamino)cyclopentane-1-carboxylic acid
CID 66030707
4-(1H-indazole-5-carbonylamino)cyclohexane-1-carboxylic acid
CID 60810348
N-[(3R)-1-azabicyclo[5.2.0]nonan-3-yl]-1H-indazole-6-carboxamide
CID 67562654
N-(1-methylpiperidin-3-yl)-1H-indazole-6-carboxamide
CID 55133135
N-(1-methylpiperidin-4-yl)-1H-indazole-6-carboxamide
CID 62905083
N-[(1R,3R)-3-(dimethylamino)cyclohexyl]-1H-indazole-5-carboxamide
CID 97056408
N-(3-methylcyclopentyl)-1H-indazole-5-carboxamide
CID 114550169
N-(5-oxopyrrolidin-3-yl)-1H-indazole-6-carboxamide
CID 114156980
N-(2,6-dimethylpiperidin-1-yl)-1H-indazole-6-carboxamide
CID 83023464
3-(2,3-dihydro-1H-indene-5-carbonylamino)cyclohexane-1-carboxylic acid
CID 63043266
N-[(2-methylcyclopentyl)methyl]-1H-indazole-6-carboxamide
CID 107420262
3-[(3-carbamoylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63044355

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indazole-6-carbonylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 3-(1H-indazole-6-carbonylamino)cyclohexane-1-carboxylic acid (CID 63043468) is 3-(1H-indazole-6-carbonylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-(1H-indazole-6-carbonylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-(1H-indazole-6-carbonylamino)cyclohexane-1-carboxylic acid is O=C(NC1CCCC(C(=O)O)C1)c1ccc2cn[nH]c2c1.
What is the InChIKey of 3-(1H-indazole-6-carbonylamino)cyclohexane-1-carboxylic acid?
The InChIKey is FDYMYJAKVKMXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c19-14(9-4-5-11-8-16-18-13(11)7-9)17-12-3-1-2-10(6-12)15(20)21/h4-5,7-8,10,12H,1-3,6H2,(H,16,18)(H,17,19)(H,20,21).
What are the key properties of 3-(1H-indazole-6-carbonylamino)cyclohexane-1-carboxylic acid?
3-(1H-indazole-6-carbonylamino)cyclohexane-1-carboxylic acid has a molecular weight of 287.32 g/mol, XLogP of 1.94, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indazole-6-carbonylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63043468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).