5-(2-azaspiro[4.4]nonan-2-yl)-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid

C19H29N3O2 — CID 70717448

IUPAC5-(2-azaspiro[4.4]nonan-2-yl)-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
SMILESCCCn1nc(C(=O)O)c2c1CCC(N1CCC3(CCCC3)C1)C2
InChIInChI=1S/C19H29N3O2/c1-2-10-22-16-6-5-14(12-15(16)17(20-22)18(23)24)21-11-9-19(13-21)7-3-4-8-19/h14H,2-13H2,1H3,(H,23,24)
InChIKeyJCVXPHHGDCQQDE-UHFFFAOYSA-N
MW331.46 g/mol
LogP3.11
Rot. Bonds4

About 5-(2-azaspiro[4.4]nonan-2-yl)-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid

5-(2-azaspiro[4.4]nonan-2-yl)-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid (PubChem CID 70717448) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 5-(2-azaspiro[4.4]nonan-2-yl)-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-azaspiro[4.4]nonan-2-yl)-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
PubChem CID70717448
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name5-(2-azaspiro[4.4]nonan-2-yl)-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
SMILESCCCn1nc(C(=O)O)c2c1CCC(N1CCC3(CCCC3)C1)C2
InChIInChI=1S/C19H29N3O2/c1-2-10-22-16-6-5-14(12-15(16)17(20-22)18(23)24)21-11-9-19(13-21)7-3-4-8-19/h14H,2-13H2,1H3,(H,23,24)
InChIKeyJCVXPHHGDCQQDE-UHFFFAOYSA-N
XLogP3.11
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-azaspiro[4.4]nonan-2-yl)-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid?
The IUPAC name of 5-(2-azaspiro[4.4]nonan-2-yl)-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid (CID 70717448) is 5-(2-azaspiro[4.4]nonan-2-yl)-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid.
What is the SMILES notation for 5-(2-azaspiro[4.4]nonan-2-yl)-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid?
The canonical SMILES for 5-(2-azaspiro[4.4]nonan-2-yl)-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid is CCCn1nc(C(=O)O)c2c1CCC(N1CCC3(CCCC3)C1)C2.
What is the InChIKey of 5-(2-azaspiro[4.4]nonan-2-yl)-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid?
The InChIKey is JCVXPHHGDCQQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-2-10-22-16-6-5-14(12-15(16)17(20-22)18(23)24)21-11-9-19(13-21)7-3-4-8-19/h14H,2-13H2,1H3,(H,23,24).
What are the key properties of 5-(2-azaspiro[4.4]nonan-2-yl)-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid?
5-(2-azaspiro[4.4]nonan-2-yl)-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid has a molecular weight of 331.46 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-azaspiro[4.4]nonan-2-yl)-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid is sourced from PubChem (CID 70717448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).