(2R)-6-(4-pyrazol-1-ylbenzoyl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide

C26H29N5O2 — CID 42480930

IUPAC(2R)-6-(4-pyrazol-1-ylbenzoyl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide
SMILESO=C(NCCCc1ccncc1)[C@@H]1CC12CCN(C(=O)c1ccc(-n3cccn3)cc1)CC2
InChIInChI=1S/C26H29N5O2/c32-24(28-12-1-3-20-8-14-27-15-9-20)23-19-26(23)10-17-30(18-11-26)25(33)21-4-6-22(7-5-21)31-16-2-13-29-31/h2,4-9,13-16,23H,1,3,10-12,17-19H2,(H,28,32)/t23-/m0/s1
InChIKeyARAXDWQZQYKHLF-QHCPKHFHSA-N
MW443.55 g/mol
LogP3.26
Rot. Bonds7

About (2R)-6-(4-pyrazol-1-ylbenzoyl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide

(2R)-6-(4-pyrazol-1-ylbenzoyl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 42480930) has the molecular formula C26H29N5O2 and a molecular weight of 443.55 g/mol. Its IUPAC name is (2R)-6-(4-pyrazol-1-ylbenzoyl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound Name(2R)-6-(4-pyrazol-1-ylbenzoyl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide
PubChem CID42480930
Molecular FormulaC26H29N5O2
Molecular Weight443.55 g/mol
Exact Mass443.23
IUPAC Name(2R)-6-(4-pyrazol-1-ylbenzoyl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide
SMILESO=C(NCCCc1ccncc1)[C@@H]1CC12CCN(C(=O)c1ccc(-n3cccn3)cc1)CC2
InChIInChI=1S/C26H29N5O2/c32-24(28-12-1-3-20-8-14-27-15-9-20)23-19-26(23)10-17-30(18-11-26)25(33)21-4-6-22(7-5-21)31-16-2-13-29-31/h2,4-9,13-16,23H,1,3,10-12,17-19H2,(H,28,32)/t23-/m0/s1
InChIKeyARAXDWQZQYKHLF-QHCPKHFHSA-N
XLogP3.26
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-6-[4-(4-fluorophenyl)benzoyl]-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 26282918
(2R)-6-(9-methylcarbazole-3-carbonyl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 42166274
6-(3-prop-2-enoxybenzoyl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 45182350
6-(1-phenylcyclohexanecarbonyl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 45214381
(2R)-6-(3-phenoxypropanoyl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 42272774
6-(2,3-dihydro-1H-inden-2-yl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 126463337
N-(4-pyrazol-1-ylphenyl)-6-(pyridine-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 45208768
(2S)-N-(3-pyridin-4-ylpropyl)-6-[(E)-3-thiophen-2-ylprop-2-enoyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 42429855
N-(3-pyridin-4-ylpropyl)-6-(thiophen-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 126465408
(2R)-N-(4-pyrazol-1-ylphenyl)-6-(2-pyridin-4-ylsulfanylacetyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 42359216
(2S)-6-(2,5-dimethylpyrazole-3-carbonyl)-N-(3-phenylpropyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 42318265
(2R)-N-(3-phenylpropyl)-6-[(1-phenylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 42245962

Frequently Asked Questions

What is the IUPAC name of (2R)-6-(4-pyrazol-1-ylbenzoyl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide?
The IUPAC name of (2R)-6-(4-pyrazol-1-ylbenzoyl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide (CID 42480930) is (2R)-6-(4-pyrazol-1-ylbenzoyl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for (2R)-6-(4-pyrazol-1-ylbenzoyl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for (2R)-6-(4-pyrazol-1-ylbenzoyl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide is O=C(NCCCc1ccncc1)[C@@H]1CC12CCN(C(=O)c1ccc(-n3cccn3)cc1)CC2.
What is the InChIKey of (2R)-6-(4-pyrazol-1-ylbenzoyl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide?
The InChIKey is ARAXDWQZQYKHLF-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H29N5O2/c32-24(28-12-1-3-20-8-14-27-15-9-20)23-19-26(23)10-17-30(18-11-26)25(33)21-4-6-22(7-5-21)31-16-2-13-29-31/h2,4-9,13-16,23H,1,3,10-12,17-19H2,(H,28,32)/t23-/m0/s1.
What are the key properties of (2R)-6-(4-pyrazol-1-ylbenzoyl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide?
(2R)-6-(4-pyrazol-1-ylbenzoyl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 443.55 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-(4-pyrazol-1-ylbenzoyl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 42480930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).