N-(4-pyrazol-1-ylphenyl)-6-(pyridine-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide

C23H23N5O2 — CID 45208768

IUPACN-(4-pyrazol-1-ylphenyl)-6-(pyridine-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide
SMILESO=C(Nc1ccc(-n2cccn2)cc1)C1CC12CCN(C(=O)c1cccnc1)CC2
InChIInChI=1S/C23H23N5O2/c29-21(26-18-4-6-19(7-5-18)28-12-2-11-25-28)20-15-23(20)8-13-27(14-9-23)22(30)17-3-1-10-24-16-17/h1-7,10-12,16,20H,8-9,13-15H2,(H,26,29)
InChIKeyZCAGWFJDUOKHHB-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.15
Rot. Bonds4

About N-(4-pyrazol-1-ylphenyl)-6-(pyridine-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide

N-(4-pyrazol-1-ylphenyl)-6-(pyridine-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 45208768) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is N-(4-pyrazol-1-ylphenyl)-6-(pyridine-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound NameN-(4-pyrazol-1-ylphenyl)-6-(pyridine-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide
PubChem CID45208768
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC NameN-(4-pyrazol-1-ylphenyl)-6-(pyridine-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide
SMILESO=C(Nc1ccc(-n2cccn2)cc1)C1CC12CCN(C(=O)c1cccnc1)CC2
InChIInChI=1S/C23H23N5O2/c29-21(26-18-4-6-19(7-5-18)28-12-2-11-25-28)20-15-23(20)8-13-27(14-9-23)22(30)17-3-1-10-24-16-17/h1-7,10-12,16,20H,8-9,13-15H2,(H,26,29)
InChIKeyZCAGWFJDUOKHHB-UHFFFAOYSA-N
XLogP3.15
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(4-pyrazol-1-ylphenyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 124701403
(2R)-N-(4-pyrazol-1-ylphenyl)-6-(2-pyridin-4-ylsulfanylacetyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 42359216
6-(pyridine-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119137379
(2R)-6-(4-pyrazol-1-ylbenzoyl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 42480930
6-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]-N-(4-pyrazol-1-ylphenyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 45165906
(2S,3R)-5-(4-chlorobenzoyl)-N-pyridin-3-yl-5-azaspiro[2.4]heptane-2-carboxamide
CID 97492548
(2S,3S)-5-N-(4-fluorophenyl)-2-N-pyridin-3-yl-5-azaspiro[2.4]heptane-2,5-dicarboxamide
CID 97492534
5-N-(4-fluorophenyl)-2-N-pyridin-3-yl-5-azaspiro[2.4]heptane-2,5-dicarboxamide
CID 131646111
N-(4-piperidin-1-ylphenyl)-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
CID 37070969
(2S)-N-(2-methyl-1,3-benzothiazol-5-yl)-6-(1-phenylpyrazole-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 42191799
(2R,3S)-5-N,5-N-dimethyl-2-N-pyridin-3-yl-5-azaspiro[2.4]heptane-2,5-dicarboxamide
CID 97396660
(2R,3S)-5-(2-cyclopropylacetyl)-N-pyridin-3-yl-5-azaspiro[2.4]heptane-2-carboxamide
CID 97492595

Frequently Asked Questions

What is the IUPAC name of N-(4-pyrazol-1-ylphenyl)-6-(pyridine-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide?
The IUPAC name of N-(4-pyrazol-1-ylphenyl)-6-(pyridine-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide (CID 45208768) is N-(4-pyrazol-1-ylphenyl)-6-(pyridine-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for N-(4-pyrazol-1-ylphenyl)-6-(pyridine-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for N-(4-pyrazol-1-ylphenyl)-6-(pyridine-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide is O=C(Nc1ccc(-n2cccn2)cc1)C1CC12CCN(C(=O)c1cccnc1)CC2.
What is the InChIKey of N-(4-pyrazol-1-ylphenyl)-6-(pyridine-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide?
The InChIKey is ZCAGWFJDUOKHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c29-21(26-18-4-6-19(7-5-18)28-12-2-11-25-28)20-15-23(20)8-13-27(14-9-23)22(30)17-3-1-10-24-16-17/h1-7,10-12,16,20H,8-9,13-15H2,(H,26,29).
What are the key properties of N-(4-pyrazol-1-ylphenyl)-6-(pyridine-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide?
N-(4-pyrazol-1-ylphenyl)-6-(pyridine-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyrazol-1-ylphenyl)-6-(pyridine-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 45208768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).