N-[(5-methyl-2H-indazol-3-yl)methyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide

C19H23N3O3 — CID 118796001

IUPACN-[(5-methyl-2H-indazol-3-yl)methyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
SMILESCc1ccc2n[nH]c(CNC(=O)C3CC(=O)OC34CCCCC4)c2c1
InChIInChI=1S/C19H23N3O3/c1-12-5-6-15-13(9-12)16(22-21-15)11-20-18(24)14-10-17(23)25-19(14)7-3-2-4-8-19/h5-6,9,14H,2-4,7-8,10-11H2,1H3,(H,20,24)(H,21,22)
InChIKeyYYRJTJOQJZUSDU-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.75
Rot. Bonds3

About N-[(5-methyl-2H-indazol-3-yl)methyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide

N-[(5-methyl-2H-indazol-3-yl)methyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide (PubChem CID 118796001) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[(5-methyl-2H-indazol-3-yl)methyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound NameN-[(5-methyl-2H-indazol-3-yl)methyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
PubChem CID118796001
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC NameN-[(5-methyl-2H-indazol-3-yl)methyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
SMILESCc1ccc2n[nH]c(CNC(=O)C3CC(=O)OC34CCCCC4)c2c1
InChIInChI=1S/C19H23N3O3/c1-12-5-6-15-13(9-12)16(22-21-15)11-20-18(24)14-10-17(23)25-19(14)7-3-2-4-8-19/h5-6,9,14H,2-4,7-8,10-11H2,1H3,(H,20,24)(H,21,22)
InChIKeyYYRJTJOQJZUSDU-UHFFFAOYSA-N
XLogP2.75
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-2H-indazol-3-yl)methyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide?
The IUPAC name of N-[(5-methyl-2H-indazol-3-yl)methyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide (CID 118796001) is N-[(5-methyl-2H-indazol-3-yl)methyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for N-[(5-methyl-2H-indazol-3-yl)methyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for N-[(5-methyl-2H-indazol-3-yl)methyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide is Cc1ccc2n[nH]c(CNC(=O)C3CC(=O)OC34CCCCC4)c2c1.
What is the InChIKey of N-[(5-methyl-2H-indazol-3-yl)methyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide?
The InChIKey is YYRJTJOQJZUSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-12-5-6-15-13(9-12)16(22-21-15)11-20-18(24)14-10-17(23)25-19(14)7-3-2-4-8-19/h5-6,9,14H,2-4,7-8,10-11H2,1H3,(H,20,24)(H,21,22).
What are the key properties of N-[(5-methyl-2H-indazol-3-yl)methyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide?
N-[(5-methyl-2H-indazol-3-yl)methyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-2H-indazol-3-yl)methyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 118796001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).