5-amino-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-indazole-3-carboxamide

C16H21N5O — CID 11659418

IUPAC5-amino-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-indazole-3-carboxamide
SMILESCN1C2CCC1CC(NC(=O)c1n[nH]c3ccc(N)cc13)C2
InChIInChI=1S/C16H21N5O/c1-21-11-3-4-12(21)8-10(7-11)18-16(22)15-13-6-9(17)2-5-14(13)19-20-15/h2,5-6,10-12H,3-4,7-8,17H2,1H3,(H,18,22)(H,19,20)
InChIKeyNNDRRPMSZLQAIG-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.50
Rot. Bonds2

About 5-amino-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-indazole-3-carboxamide

5-amino-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-indazole-3-carboxamide (PubChem CID 11659418) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 5-amino-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-indazole-3-carboxamide
PubChem CID11659418
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name5-amino-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-indazole-3-carboxamide
SMILESCN1C2CCC1CC(NC(=O)c1n[nH]c3ccc(N)cc13)C2
InChIInChI=1S/C16H21N5O/c1-21-11-3-4-12(21)8-10(7-11)18-16(22)15-13-6-9(17)2-5-14(13)19-20-15/h2,5-6,10-12H,3-4,7-8,17H2,1H3,(H,18,22)(H,19,20)
InChIKeyNNDRRPMSZLQAIG-UHFFFAOYSA-N
XLogP1.50
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-methoxy-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1H-indazole-3-carboxamide
CID 11509046
N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide
CID 67273538
5-amino-N-(3-methylcyclopentyl)-1H-indazole-3-carboxamide
CID 114542564
6-methoxy-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1H-indazole-3-carboxamide
CID 67273565
formic acid;N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-(1,3-thiazol-2-yl)-1H-indazole-3-carboxamide
CID 11611337
N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-5-(1,3-oxazol-2-yl)-1H-indazole-3-carboxamide
CID 11610286
5-amino-N-(1-methyl-2-oxopyrrolidin-3-yl)-1H-indazole-3-carboxamide
CID 106249516
5-amino-N-(2,4-dimethylcyclohexyl)-1H-indazole-3-carboxamide
CID 63996231
5-amino-N-(2-methylcyclohexyl)-1H-indazole-3-carboxamide
CID 60906370
5-amino-N-(2,2,3,3-tetramethylcyclopropyl)-1H-indazole-3-carboxamide
CID 79351862
N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-6-(1,3-oxazol-2-yl)-1H-indazole-3-carboxamide
CID 67273746
5-amino-N-(2,3-dimethylcyclohexyl)-1H-indazole-3-carboxamide
CID 60905479

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-indazole-3-carboxamide?
The IUPAC name of 5-amino-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-indazole-3-carboxamide (CID 11659418) is 5-amino-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-amino-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-indazole-3-carboxamide?
The canonical SMILES for 5-amino-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-indazole-3-carboxamide is CN1C2CCC1CC(NC(=O)c1n[nH]c3ccc(N)cc13)C2.
What is the InChIKey of 5-amino-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-indazole-3-carboxamide?
The InChIKey is NNDRRPMSZLQAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-21-11-3-4-12(21)8-10(7-11)18-16(22)15-13-6-9(17)2-5-14(13)19-20-15/h2,5-6,10-12H,3-4,7-8,17H2,1H3,(H,18,22)(H,19,20).
What are the key properties of 5-amino-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-indazole-3-carboxamide?
5-amino-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-indazole-3-carboxamide has a molecular weight of 299.38 g/mol, XLogP of 1.50, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 11659418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).