1-methyl-N-(6-oxaspiro[3.4]octan-2-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide

C16H23N3O2 — CID 166283970

IUPAC1-methyl-N-(6-oxaspiro[3.4]octan-2-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCn1nc(C(=O)NC2CC3(CCOC3)C2)c2c1CCCC2
InChIInChI=1S/C16H23N3O2/c1-19-13-5-3-2-4-12(13)14(18-19)15(20)17-11-8-16(9-11)6-7-21-10-16/h11H,2-10H2,1H3,(H,17,20)
InChIKeyPWQSOXFRXAOZGJ-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.60
Rot. Bonds2

About 1-methyl-N-(6-oxaspiro[3.4]octan-2-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide

1-methyl-N-(6-oxaspiro[3.4]octan-2-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 166283970) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-methyl-N-(6-oxaspiro[3.4]octan-2-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(6-oxaspiro[3.4]octan-2-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID166283970
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-methyl-N-(6-oxaspiro[3.4]octan-2-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCn1nc(C(=O)NC2CC3(CCOC3)C2)c2c1CCCC2
InChIInChI=1S/C16H23N3O2/c1-19-13-5-3-2-4-12(13)14(18-19)15(20)17-11-8-16(9-11)6-7-21-10-16/h11H,2-10H2,1H3,(H,17,20)
InChIKeyPWQSOXFRXAOZGJ-UHFFFAOYSA-N
XLogP1.60
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(6-oxaspiro[3.4]octan-2-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of 1-methyl-N-(6-oxaspiro[3.4]octan-2-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide (CID 166283970) is 1-methyl-N-(6-oxaspiro[3.4]octan-2-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-(6-oxaspiro[3.4]octan-2-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for 1-methyl-N-(6-oxaspiro[3.4]octan-2-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide is Cn1nc(C(=O)NC2CC3(CCOC3)C2)c2c1CCCC2.
What is the InChIKey of 1-methyl-N-(6-oxaspiro[3.4]octan-2-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is PWQSOXFRXAOZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-19-13-5-3-2-4-12(13)14(18-19)15(20)17-11-8-16(9-11)6-7-21-10-16/h11H,2-10H2,1H3,(H,17,20).
What are the key properties of 1-methyl-N-(6-oxaspiro[3.4]octan-2-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
1-methyl-N-(6-oxaspiro[3.4]octan-2-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(6-oxaspiro[3.4]octan-2-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 166283970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).