2-(3-amino-1-methylindazol-6-yl)-2,7-diazaspiro[3.5]nonane-7-carboxylic acid

C16H21N5O2 — CID 174241314

IUPAC2-(3-amino-1-methylindazol-6-yl)-2,7-diazaspiro[3.5]nonane-7-carboxylic acid
SMILESCn1nc(N)c2ccc(N3CC4(CCN(C(=O)O)CC4)C3)cc21
InChIInChI=1S/C16H21N5O2/c1-19-13-8-11(2-3-12(13)14(17)18-19)21-9-16(10-21)4-6-20(7-5-16)15(22)23/h2-3,8H,4-7,9-10H2,1H3,(H2,17,18)(H,22,23)
InChIKeyJVPHWUMYLHAXTN-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.74
Rot. Bonds1

About 2-(3-amino-1-methylindazol-6-yl)-2,7-diazaspiro[3.5]nonane-7-carboxylic acid

2-(3-amino-1-methylindazol-6-yl)-2,7-diazaspiro[3.5]nonane-7-carboxylic acid (PubChem CID 174241314) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 2-(3-amino-1-methylindazol-6-yl)-2,7-diazaspiro[3.5]nonane-7-carboxylic acid.

Molecular Properties

Compound Name2-(3-amino-1-methylindazol-6-yl)-2,7-diazaspiro[3.5]nonane-7-carboxylic acid
PubChem CID174241314
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name2-(3-amino-1-methylindazol-6-yl)-2,7-diazaspiro[3.5]nonane-7-carboxylic acid
SMILESCn1nc(N)c2ccc(N3CC4(CCN(C(=O)O)CC4)C3)cc21
InChIInChI=1S/C16H21N5O2/c1-19-13-8-11(2-3-12(13)14(17)18-19)21-9-16(10-21)4-6-20(7-5-16)15(22)23/h2-3,8H,4-7,9-10H2,1H3,(H2,17,18)(H,22,23)
InChIKeyJVPHWUMYLHAXTN-UHFFFAOYSA-N
XLogP1.74
TPSA87.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1-methylindazol-6-yl)-2,7-diazaspiro[3.5]nonane-7-carboxylic acid?
The IUPAC name of 2-(3-amino-1-methylindazol-6-yl)-2,7-diazaspiro[3.5]nonane-7-carboxylic acid (CID 174241314) is 2-(3-amino-1-methylindazol-6-yl)-2,7-diazaspiro[3.5]nonane-7-carboxylic acid.
What is the SMILES notation for 2-(3-amino-1-methylindazol-6-yl)-2,7-diazaspiro[3.5]nonane-7-carboxylic acid?
The canonical SMILES for 2-(3-amino-1-methylindazol-6-yl)-2,7-diazaspiro[3.5]nonane-7-carboxylic acid is Cn1nc(N)c2ccc(N3CC4(CCN(C(=O)O)CC4)C3)cc21.
What is the InChIKey of 2-(3-amino-1-methylindazol-6-yl)-2,7-diazaspiro[3.5]nonane-7-carboxylic acid?
The InChIKey is JVPHWUMYLHAXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-19-13-8-11(2-3-12(13)14(17)18-19)21-9-16(10-21)4-6-20(7-5-16)15(22)23/h2-3,8H,4-7,9-10H2,1H3,(H2,17,18)(H,22,23).
What are the key properties of 2-(3-amino-1-methylindazol-6-yl)-2,7-diazaspiro[3.5]nonane-7-carboxylic acid?
2-(3-amino-1-methylindazol-6-yl)-2,7-diazaspiro[3.5]nonane-7-carboxylic acid has a molecular weight of 315.38 g/mol, XLogP of 1.74, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1-methylindazol-6-yl)-2,7-diazaspiro[3.5]nonane-7-carboxylic acid is sourced from PubChem (CID 174241314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).