(2R)-N-(4-pyrazol-1-ylphenyl)-6-(2-pyridin-4-ylsulfanylacetyl)-6-azaspiro[2.5]octane-2-carboxamide

C24H25N5O2S — CID 42359216

IUPAC(2R)-N-(4-pyrazol-1-ylphenyl)-6-(2-pyridin-4-ylsulfanylacetyl)-6-azaspiro[2.5]octane-2-carboxamide
SMILESO=C(Nc1ccc(-n2cccn2)cc1)[C@@H]1CC12CCN(C(=O)CSc1ccncc1)CC2
InChIInChI=1S/C24H25N5O2S/c30-22(17-32-20-6-11-25-12-7-20)28-14-8-24(9-15-28)16-21(24)23(31)27-18-2-4-19(5-3-18)29-13-1-10-26-29/h1-7,10-13,21H,8-9,14-17H2,(H,27,31)/t21-/m0/s1
InChIKeyFPFVNTWIAOXGSX-NRFANRHFSA-N
MW447.56 g/mol
LogP3.63
Rot. Bonds6

About (2R)-N-(4-pyrazol-1-ylphenyl)-6-(2-pyridin-4-ylsulfanylacetyl)-6-azaspiro[2.5]octane-2-carboxamide

(2R)-N-(4-pyrazol-1-ylphenyl)-6-(2-pyridin-4-ylsulfanylacetyl)-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 42359216) has the molecular formula C24H25N5O2S and a molecular weight of 447.56 g/mol. Its IUPAC name is (2R)-N-(4-pyrazol-1-ylphenyl)-6-(2-pyridin-4-ylsulfanylacetyl)-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(4-pyrazol-1-ylphenyl)-6-(2-pyridin-4-ylsulfanylacetyl)-6-azaspiro[2.5]octane-2-carboxamide
PubChem CID42359216
Molecular FormulaC24H25N5O2S
Molecular Weight447.56 g/mol
Exact Mass447.17
IUPAC Name(2R)-N-(4-pyrazol-1-ylphenyl)-6-(2-pyridin-4-ylsulfanylacetyl)-6-azaspiro[2.5]octane-2-carboxamide
SMILESO=C(Nc1ccc(-n2cccn2)cc1)[C@@H]1CC12CCN(C(=O)CSc1ccncc1)CC2
InChIInChI=1S/C24H25N5O2S/c30-22(17-32-20-6-11-25-12-7-20)28-14-8-24(9-15-28)16-21(24)23(31)27-18-2-4-19(5-3-18)29-13-1-10-26-29/h1-7,10-13,21H,8-9,14-17H2,(H,27,31)/t21-/m0/s1
InChIKeyFPFVNTWIAOXGSX-NRFANRHFSA-N
XLogP3.63
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-pyrazol-1-ylphenyl)-6-(pyridine-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 45208768
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)-N-(4-pyrazol-1-ylphenyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 124701403
(2R)-6-(4-pyrazol-1-ylbenzoyl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 42480930
(2R)-N-(2-phenylethyl)-6-(2-phenylsulfanylacetyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 26339474
3-methyl-1-[(4-pyrazol-1-ylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122075319
(2R)-N-(3,5-dimethylphenyl)-6-(2-imidazol-1-ylacetyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 42431804
N-phenyl-1-[2-(4-pyrazol-1-ylphenyl)acetyl]piperidine-4-carboxamide
CID 46472669
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-pyridin-4-ylsulfanylethanone
CID 66261905
5-oxo-N-(4-pyrazol-1-ylphenyl)pyrrolidine-3-carboxamide
CID 78981738
2-[(4-pyrazol-1-ylphenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120977154
(2S)-N-(3,4-difluorophenyl)-6-[2-(4-methylsulfanylphenyl)acetyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 42438229

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-pyrazol-1-ylphenyl)-6-(2-pyridin-4-ylsulfanylacetyl)-6-azaspiro[2.5]octane-2-carboxamide?
The IUPAC name of (2R)-N-(4-pyrazol-1-ylphenyl)-6-(2-pyridin-4-ylsulfanylacetyl)-6-azaspiro[2.5]octane-2-carboxamide (CID 42359216) is (2R)-N-(4-pyrazol-1-ylphenyl)-6-(2-pyridin-4-ylsulfanylacetyl)-6-azaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for (2R)-N-(4-pyrazol-1-ylphenyl)-6-(2-pyridin-4-ylsulfanylacetyl)-6-azaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for (2R)-N-(4-pyrazol-1-ylphenyl)-6-(2-pyridin-4-ylsulfanylacetyl)-6-azaspiro[2.5]octane-2-carboxamide is O=C(Nc1ccc(-n2cccn2)cc1)[C@@H]1CC12CCN(C(=O)CSc1ccncc1)CC2.
What is the InChIKey of (2R)-N-(4-pyrazol-1-ylphenyl)-6-(2-pyridin-4-ylsulfanylacetyl)-6-azaspiro[2.5]octane-2-carboxamide?
The InChIKey is FPFVNTWIAOXGSX-NRFANRHFSA-N. The full InChI is InChI=1S/C24H25N5O2S/c30-22(17-32-20-6-11-25-12-7-20)28-14-8-24(9-15-28)16-21(24)23(31)27-18-2-4-19(5-3-18)29-13-1-10-26-29/h1-7,10-13,21H,8-9,14-17H2,(H,27,31)/t21-/m0/s1.
What are the key properties of (2R)-N-(4-pyrazol-1-ylphenyl)-6-(2-pyridin-4-ylsulfanylacetyl)-6-azaspiro[2.5]octane-2-carboxamide?
(2R)-N-(4-pyrazol-1-ylphenyl)-6-(2-pyridin-4-ylsulfanylacetyl)-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 447.56 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-pyrazol-1-ylphenyl)-6-(2-pyridin-4-ylsulfanylacetyl)-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 42359216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).