2-propyl-7-([1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one

C17H21N5O2 — CID 176500913

IUPAC2-propyl-7-([1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
SMILESCCCN1CCC2(CCN(C(=O)c3cccn4cnnc34)C2)C1=O
InChIInChI=1S/C17H21N5O2/c1-2-7-20-9-5-17(16(20)24)6-10-21(11-17)15(23)13-4-3-8-22-12-18-19-14(13)22/h3-4,8,12H,2,5-7,9-11H2,1H3
InChIKeyTXERZIIJPZUFTM-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.20
Rot. Bonds3

About 2-propyl-7-([1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one

2-propyl-7-([1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 176500913) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 2-propyl-7-([1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name2-propyl-7-([1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID176500913
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name2-propyl-7-([1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
SMILESCCCN1CCC2(CCN(C(=O)c3cccn4cnnc34)C2)C1=O
InChIInChI=1S/C17H21N5O2/c1-2-7-20-9-5-17(16(20)24)6-10-21(11-17)15(23)13-4-3-8-22-12-18-19-14(13)22/h3-4,8,12H,2,5-7,9-11H2,1H3
InChIKeyTXERZIIJPZUFTM-UHFFFAOYSA-N
XLogP1.20
TPSA70.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-propyl-7-([1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one with MolForge

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Related Compounds

(6S)-8-methyl-2-([1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)-2,8-diazaspiro[5.5]undecan-9-one
CID 125167277
7-[2-[(E)-3-phenylprop-2-enyl]sulfanylpyridine-3-carbonyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one
CID 175642149
7-(1-benzylpyrazolo[5,4-b]pyridine-3-carbonyl)-2-propyl-2,7-diazaspiro[4.4]nonan-1-one
CID 175643268
(6S)-2-propan-2-yl-8-([1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 125159084
2-(3-phenyl-1,2-oxazole-4-carbonyl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one
CID 72879896
(5S)-2-(3-phenyl-1,2-oxazole-4-carbonyl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one
CID 97128119
(5R)-7-propyl-2-(1,2-thiazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97155237
2-propyl-7-(1H-pyrazolo[5,4-b]pyridine-6-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175645430
7-[4-(azepan-1-ylmethyl)benzoyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one
CID 176500159
2-methyl-4-[2-oxo-2-(1-oxo-2-propyl-2,7-diazaspiro[4.4]nonan-7-yl)ethyl]phthalazin-1-one
CID 175642967
7-(1-phenylcyclohexanecarbonyl)-2-propyl-2,7-diazaspiro[4.4]nonan-1-one
CID 175643999
7-[2-(2,3-difluorophenyl)acetyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one
CID 175646532

Frequently Asked Questions

What is the IUPAC name of 2-propyl-7-([1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of 2-propyl-7-([1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one (CID 176500913) is 2-propyl-7-([1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for 2-propyl-7-([1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for 2-propyl-7-([1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one is CCCN1CCC2(CCN(C(=O)c3cccn4cnnc34)C2)C1=O.
What is the InChIKey of 2-propyl-7-([1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is TXERZIIJPZUFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-2-7-20-9-5-17(16(20)24)6-10-21(11-17)15(23)13-4-3-8-22-12-18-19-14(13)22/h3-4,8,12H,2,5-7,9-11H2,1H3.
What are the key properties of 2-propyl-7-([1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one?
2-propyl-7-([1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 327.39 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-7-([1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 176500913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).