4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)-1-oxaspiro[4.4]nonan-2-one

C15H19N3O3 — CID 131941781

IUPAC4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)-1-oxaspiro[4.4]nonan-2-one
SMILESO=C1CC(C(=O)N2CCc3[nH]ncc3C2)C2(CCCC2)O1
InChIInChI=1S/C15H19N3O3/c19-13-7-11(15(21-13)4-1-2-5-15)14(20)18-6-3-12-10(9-18)8-16-17-12/h8,11H,1-7,9H2,(H,16,17)
InChIKeyFGOUWPRIMXIBRF-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.17
Rot. Bonds1

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

4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)-1-oxaspiro[4.4]nonan-2-one (PubChem CID 131941781) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)-1-oxaspiro[4.4]nonan-2-one.

Molecular Properties

Compound Name4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)-1-oxaspiro[4.4]nonan-2-one
PubChem CID131941781
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)-1-oxaspiro[4.4]nonan-2-one
SMILESO=C1CC(C(=O)N2CCc3[nH]ncc3C2)C2(CCCC2)O1
InChIInChI=1S/C15H19N3O3/c19-13-7-11(15(21-13)4-1-2-5-15)14(20)18-6-3-12-10(9-18)8-16-17-12/h8,11H,1-7,9H2,(H,16,17)
InChIKeyFGOUWPRIMXIBRF-UHFFFAOYSA-N
XLogP1.17
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)-1-oxaspiro[4.4]nonan-2-one with MolForge

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Related Compounds

4-(2-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)-1-oxaspiro[4.5]decan-2-one
CID 110241772
[4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)-1-bicyclo[2.2.2]octanyl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
CID 166234515
4-(2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-1-oxaspiro[4.4]nonan-2-one
CID 169413605
(4S)-4-[1-ethyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-1-oxaspiro[4.4]nonan-2-one
CID 125176576
4-[4-(1-hydroxycyclopropyl)piperidine-1-carbonyl]-1-oxaspiro[4.4]nonan-2-one
CID 138380754
4-(4-pyrazin-2-ylpiperazine-1-carbonyl)-1-oxaspiro[4.4]nonan-2-one
CID 131892835
[(2S)-2,3-dihydro-1-benzofuran-2-yl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
CID 99936128
4-(4-ethylsulfonylpiperazine-1-carbonyl)-1-oxaspiro[4.4]nonan-2-one
CID 131933192
(4S)-4-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-1-oxaspiro[4.4]nonan-2-one
CID 125169350
(4S)-4-[4-(3-amino-1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one
CID 125160296
trifluoromethyl 1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carboxylate
CID 153306399
4-(4-pyridin-4-yloxypiperidine-1-carbonyl)-1-oxaspiro[4.4]nonan-2-one
CID 118788436

Frequently Asked Questions

What is the IUPAC name of 4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)-1-oxaspiro[4.4]nonan-2-one?
The IUPAC name of 4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)-1-oxaspiro[4.4]nonan-2-one (CID 131941781) is 4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)-1-oxaspiro[4.4]nonan-2-one.
What is the SMILES notation for 4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)-1-oxaspiro[4.4]nonan-2-one?
The canonical SMILES for 4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)-1-oxaspiro[4.4]nonan-2-one is O=C1CC(C(=O)N2CCc3[nH]ncc3C2)C2(CCCC2)O1.
What is the InChIKey of 4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)-1-oxaspiro[4.4]nonan-2-one?
The InChIKey is FGOUWPRIMXIBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c19-13-7-11(15(21-13)4-1-2-5-15)14(20)18-6-3-12-10(9-18)8-16-17-12/h8,11H,1-7,9H2,(H,16,17).
What are the key properties of 4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)-1-oxaspiro[4.4]nonan-2-one?
4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)-1-oxaspiro[4.4]nonan-2-one has a molecular weight of 289.33 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)-1-oxaspiro[4.4]nonan-2-one is sourced from PubChem (CID 131941781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).