3-methyl-7-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one

C15H21N5O3 — CID 56892340

IUPAC3-methyl-7-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
SMILESCN1CCc2[nH]nc(C(=O)N3CCC4(CN(C)C(=O)O4)C3)c2C1
InChIInChI=1S/C15H21N5O3/c1-18-5-3-11-10(7-18)12(17-16-11)13(21)20-6-4-15(9-20)8-19(2)14(22)23-15/h3-9H2,1-2H3,(H,16,17)
InChIKeyCIXODAKJUQCTAR-UHFFFAOYSA-N
MW319.37 g/mol
LogP0.06
Rot. Bonds1

About 3-methyl-7-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one

3-methyl-7-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one (PubChem CID 56892340) has the molecular formula C15H21N5O3 and a molecular weight of 319.37 g/mol. Its IUPAC name is 3-methyl-7-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one.

Molecular Properties

Compound Name3-methyl-7-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
PubChem CID56892340
Molecular FormulaC15H21N5O3
Molecular Weight319.37 g/mol
Exact Mass319.16
IUPAC Name3-methyl-7-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
SMILESCN1CCc2[nH]nc(C(=O)N3CCC4(CN(C)C(=O)O4)C3)c2C1
InChIInChI=1S/C15H21N5O3/c1-18-5-3-11-10(7-18)12(17-16-11)13(21)20-6-4-15(9-20)8-19(2)14(22)23-15/h3-9H2,1-2H3,(H,16,17)
InChIKeyCIXODAKJUQCTAR-UHFFFAOYSA-N
XLogP0.06
TPSA81.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
The IUPAC name of 3-methyl-7-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one (CID 56892340) is 3-methyl-7-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one.
What is the SMILES notation for 3-methyl-7-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
The canonical SMILES for 3-methyl-7-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one is CN1CCc2[nH]nc(C(=O)N3CCC4(CN(C)C(=O)O4)C3)c2C1.
What is the InChIKey of 3-methyl-7-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
The InChIKey is CIXODAKJUQCTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O3/c1-18-5-3-11-10(7-18)12(17-16-11)13(21)20-6-4-15(9-20)8-19(2)14(22)23-15/h3-9H2,1-2H3,(H,16,17).
What are the key properties of 3-methyl-7-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
3-methyl-7-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one has a molecular weight of 319.37 g/mol, XLogP of 0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one is sourced from PubChem (CID 56892340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).