2-oxo-N-(7-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-oxaspiro[4.4]nonane-4-carboxamide

C19H18N6O3 — CID 162635647

IUPAC2-oxo-N-(7-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-oxaspiro[4.4]nonane-4-carboxamide
SMILESO=C1CC(C(=O)Nc2nc3nccc(-c4ccccn4)n3n2)C2(CCCC2)O1
InChIInChI=1S/C19H18N6O3/c26-15-11-12(19(28-15)7-2-3-8-19)16(27)22-17-23-18-21-10-6-14(25(18)24-17)13-5-1-4-9-20-13/h1,4-6,9-10,12H,2-3,7-8,11H2,(H,22,24,27)
InChIKeyBSQPNRLCQLWAHF-UHFFFAOYSA-N
MW378.39 g/mol
LogP2.00
Rot. Bonds3

About 2-oxo-N-(7-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-oxaspiro[4.4]nonane-4-carboxamide

2-oxo-N-(7-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-oxaspiro[4.4]nonane-4-carboxamide (PubChem CID 162635647) has the molecular formula C19H18N6O3 and a molecular weight of 378.39 g/mol. Its IUPAC name is 2-oxo-N-(7-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-oxaspiro[4.4]nonane-4-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(7-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-oxaspiro[4.4]nonane-4-carboxamide
PubChem CID162635647
Molecular FormulaC19H18N6O3
Molecular Weight378.39 g/mol
Exact Mass378.14
IUPAC Name2-oxo-N-(7-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-oxaspiro[4.4]nonane-4-carboxamide
SMILESO=C1CC(C(=O)Nc2nc3nccc(-c4ccccn4)n3n2)C2(CCCC2)O1
InChIInChI=1S/C19H18N6O3/c26-15-11-12(19(28-15)7-2-3-8-19)16(27)22-17-23-18-21-10-6-14(25(18)24-17)13-5-1-4-9-20-13/h1,4-6,9-10,12H,2-3,7-8,11H2,(H,22,24,27)
InChIKeyBSQPNRLCQLWAHF-UHFFFAOYSA-N
XLogP2.00
TPSA111.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-oxo-N-(7-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-oxaspiro[4.4]nonane-4-carboxamide with MolForge

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Related Compounds

5-methyl-N-(7-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1,2-oxazole-3-carboxamide
CID 155917099
N-([1,2]oxazolo[5,4-b]pyridin-3-yl)-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide
CID 157017895
1-methyl-3-phenyl-N-(7-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)pyrazole-5-carboxamide
CID 157015226
(4R)-N-(1,3-benzothiazol-2-ylmethyl)-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide
CID 125165859
2-oxo-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1-oxaspiro[4.5]decane-4-carboxamide
CID 74230828
2,2-dimethyl-5-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)oxolane-3-carboxamide
CID 75357028
N-(3-methylphenyl)-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide
CID 2956170
N-[2-(2-fluorophenoxy)-3-pyridinyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
CID 155910918
N-(7-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclohexanecarboxamide
CID 58894125
N-[2-(1-methylpyrrol-2-yl)ethyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide
CID 131927808
(4S)-N-(furan-2-ylmethyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
CID 706698
7-pyridin-2-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 66491471

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(7-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-oxaspiro[4.4]nonane-4-carboxamide?
The IUPAC name of 2-oxo-N-(7-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-oxaspiro[4.4]nonane-4-carboxamide (CID 162635647) is 2-oxo-N-(7-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-oxaspiro[4.4]nonane-4-carboxamide.
What is the SMILES notation for 2-oxo-N-(7-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-oxaspiro[4.4]nonane-4-carboxamide?
The canonical SMILES for 2-oxo-N-(7-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-oxaspiro[4.4]nonane-4-carboxamide is O=C1CC(C(=O)Nc2nc3nccc(-c4ccccn4)n3n2)C2(CCCC2)O1.
What is the InChIKey of 2-oxo-N-(7-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-oxaspiro[4.4]nonane-4-carboxamide?
The InChIKey is BSQPNRLCQLWAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O3/c26-15-11-12(19(28-15)7-2-3-8-19)16(27)22-17-23-18-21-10-6-14(25(18)24-17)13-5-1-4-9-20-13/h1,4-6,9-10,12H,2-3,7-8,11H2,(H,22,24,27).
What are the key properties of 2-oxo-N-(7-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-oxaspiro[4.4]nonane-4-carboxamide?
2-oxo-N-(7-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-oxaspiro[4.4]nonane-4-carboxamide has a molecular weight of 378.39 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(7-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-oxaspiro[4.4]nonane-4-carboxamide is sourced from PubChem (CID 162635647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).