[5-(3-cyclopropyl-5-oxa-2-azaspiro[3.4]octane-2-carbonyl)-3-pyridinyl]-(3-cyclopropyl-5-oxa-2-azaspiro[3.4]octan-2-yl)methanone

C25H31N3O4 — CID 166208477

IUPAC[5-(3-cyclopropyl-5-oxa-2-azaspiro[3.4]octane-2-carbonyl)-3-pyridinyl]-(3-cyclopropyl-5-oxa-2-azaspiro[3.4]octan-2-yl)methanone
SMILESO=C(c1cncc(C(=O)N2CC3(CCCO3)C2C2CC2)c1)N1CC2(CCCO2)C1C1CC1
InChIInChI=1S/C25H31N3O4/c29-22(27-14-24(7-1-9-31-24)20(27)16-3-4-16)18-11-19(13-26-12-18)23(30)28-15-25(8-2-10-32-25)21(28)17-5-6-17/h11-13,16-17,20-21H,1-10,14-15H2
InChIKeyUZXDRZQGPJXFMB-UHFFFAOYSA-N
MW437.54 g/mol
LogP2.65
Rot. Bonds4

About [5-(3-cyclopropyl-5-oxa-2-azaspiro[3.4]octane-2-carbonyl)-3-pyridinyl]-(3-cyclopropyl-5-oxa-2-azaspiro[3.4]octan-2-yl)methanone

[5-(3-cyclopropyl-5-oxa-2-azaspiro[3.4]octane-2-carbonyl)-3-pyridinyl]-(3-cyclopropyl-5-oxa-2-azaspiro[3.4]octan-2-yl)methanone (PubChem CID 166208477) has the molecular formula C25H31N3O4 and a molecular weight of 437.54 g/mol. Its IUPAC name is [5-(3-cyclopropyl-5-oxa-2-azaspiro[3.4]octane-2-carbonyl)-3-pyridinyl]-(3-cyclopropyl-5-oxa-2-azaspiro[3.4]octan-2-yl)methanone.

Molecular Properties

Compound Name[5-(3-cyclopropyl-5-oxa-2-azaspiro[3.4]octane-2-carbonyl)-3-pyridinyl]-(3-cyclopropyl-5-oxa-2-azaspiro[3.4]octan-2-yl)methanone
PubChem CID166208477
Molecular FormulaC25H31N3O4
Molecular Weight437.54 g/mol
Exact Mass437.23
IUPAC Name[5-(3-cyclopropyl-5-oxa-2-azaspiro[3.4]octane-2-carbonyl)-3-pyridinyl]-(3-cyclopropyl-5-oxa-2-azaspiro[3.4]octan-2-yl)methanone
SMILESO=C(c1cncc(C(=O)N2CC3(CCCO3)C2C2CC2)c1)N1CC2(CCCO2)C1C1CC1
InChIInChI=1S/C25H31N3O4/c29-22(27-14-24(7-1-9-31-24)20(27)16-3-4-16)18-11-19(13-26-12-18)23(30)28-15-25(8-2-10-32-25)21(28)17-5-6-17/h11-13,16-17,20-21H,1-10,14-15H2
InChIKeyUZXDRZQGPJXFMB-UHFFFAOYSA-N
XLogP2.65
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [5-(3-cyclopropyl-5-oxa-2-azaspiro[3.4]octane-2-carbonyl)-3-pyridinyl]-(3-cyclopropyl-5-oxa-2-azaspiro[3.4]octan-2-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

(2-chloro-4-pyridinyl)-(3-cyclopropyl-5-oxa-2-azaspiro[3.4]octan-2-yl)methanone
CID 122140489
[(3R,4R)-3-cyclopropyl-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1-propan-2-ylpyrazol-3-yl)methanone
CID 125144117
1-(3-cyclopropyl-5-oxa-2-azaspiro[3.4]octan-2-yl)-4-thiophen-2-ylbutane-1,4-dione
CID 126804464
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(3-methylpiperidine-1-carbonyl)-3-pyridinyl]methanone
CID 109106627
azepan-1-yl-[5-(2-ethylpiperidine-1-carbonyl)-3-pyridinyl]methanone
CID 109107415
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(5-hydroxy-3-pyridinyl)methanone
CID 78954237
1-[4-[5-(piperidine-1-carbonyl)pyridine-3-carbonyl]piperazin-1-yl]ethanone
CID 109102845
[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1,3-thiazol-5-yl)methanone
CID 110159393
[3-(oxan-4-yl)-2-azaspiro[3.3]heptan-2-yl]-(6-propan-2-yloxy-3-pyridinyl)methanone
CID 128896964
[(4S,5R)-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]-pyridin-3-ylmethanone
CID 97452420
2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl-(5-bromo-3-pyridinyl)methanone
CID 47251098
5-(2-ethylpyrrolidine-1-carbonyl)pyridine-3-carboxylic acid
CID 21062091

Frequently Asked Questions

What is the IUPAC name of [5-(3-cyclopropyl-5-oxa-2-azaspiro[3.4]octane-2-carbonyl)-3-pyridinyl]-(3-cyclopropyl-5-oxa-2-azaspiro[3.4]octan-2-yl)methanone?
The IUPAC name of [5-(3-cyclopropyl-5-oxa-2-azaspiro[3.4]octane-2-carbonyl)-3-pyridinyl]-(3-cyclopropyl-5-oxa-2-azaspiro[3.4]octan-2-yl)methanone (CID 166208477) is [5-(3-cyclopropyl-5-oxa-2-azaspiro[3.4]octane-2-carbonyl)-3-pyridinyl]-(3-cyclopropyl-5-oxa-2-azaspiro[3.4]octan-2-yl)methanone.
What is the SMILES notation for [5-(3-cyclopropyl-5-oxa-2-azaspiro[3.4]octane-2-carbonyl)-3-pyridinyl]-(3-cyclopropyl-5-oxa-2-azaspiro[3.4]octan-2-yl)methanone?
The canonical SMILES for [5-(3-cyclopropyl-5-oxa-2-azaspiro[3.4]octane-2-carbonyl)-3-pyridinyl]-(3-cyclopropyl-5-oxa-2-azaspiro[3.4]octan-2-yl)methanone is O=C(c1cncc(C(=O)N2CC3(CCCO3)C2C2CC2)c1)N1CC2(CCCO2)C1C1CC1.
What is the InChIKey of [5-(3-cyclopropyl-5-oxa-2-azaspiro[3.4]octane-2-carbonyl)-3-pyridinyl]-(3-cyclopropyl-5-oxa-2-azaspiro[3.4]octan-2-yl)methanone?
The InChIKey is UZXDRZQGPJXFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O4/c29-22(27-14-24(7-1-9-31-24)20(27)16-3-4-16)18-11-19(13-26-12-18)23(30)28-15-25(8-2-10-32-25)21(28)17-5-6-17/h11-13,16-17,20-21H,1-10,14-15H2.
What are the key properties of [5-(3-cyclopropyl-5-oxa-2-azaspiro[3.4]octane-2-carbonyl)-3-pyridinyl]-(3-cyclopropyl-5-oxa-2-azaspiro[3.4]octan-2-yl)methanone?
[5-(3-cyclopropyl-5-oxa-2-azaspiro[3.4]octane-2-carbonyl)-3-pyridinyl]-(3-cyclopropyl-5-oxa-2-azaspiro[3.4]octan-2-yl)methanone has a molecular weight of 437.54 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-cyclopropyl-5-oxa-2-azaspiro[3.4]octane-2-carbonyl)-3-pyridinyl]-(3-cyclopropyl-5-oxa-2-azaspiro[3.4]octan-2-yl)methanone is sourced from PubChem (CID 166208477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).