8-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decane-1,3-dione

C23H25ClN4O3 — CID 118407980

IUPAC8-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decane-1,3-dione
SMILESO=C1CC2(CCN(c3c(Cl)cncc3-c3ccc(N4CCOCC4)cc3)CC2)C(=O)N1
InChIInChI=1S/C23H25ClN4O3/c24-19-15-25-14-18(16-1-3-17(4-2-16)27-9-11-31-12-10-27)21(19)28-7-5-23(6-8-28)13-20(29)26-22(23)30/h1-4,14-15H,5-13H2,(H,26,29,30)
InChIKeyPFYMXZQUKHUCFW-UHFFFAOYSA-N
MW440.93 g/mol
LogP2.87
Rot. Bonds3

About 8-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decane-1,3-dione

8-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decane-1,3-dione (PubChem CID 118407980) has the molecular formula C23H25ClN4O3 and a molecular weight of 440.93 g/mol. Its IUPAC name is 8-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decane-1,3-dione.

Molecular Properties

Compound Name8-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decane-1,3-dione
PubChem CID118407980
Molecular FormulaC23H25ClN4O3
Molecular Weight440.93 g/mol
Exact Mass440.16
IUPAC Name8-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decane-1,3-dione
SMILESO=C1CC2(CCN(c3c(Cl)cncc3-c3ccc(N4CCOCC4)cc3)CC2)C(=O)N1
InChIInChI=1S/C23H25ClN4O3/c24-19-15-25-14-18(16-1-3-17(4-2-16)27-9-11-31-12-10-27)21(19)28-7-5-23(6-8-28)13-20(29)26-22(23)30/h1-4,14-15H,5-13H2,(H,26,29,30)
InChIKeyPFYMXZQUKHUCFW-UHFFFAOYSA-N
XLogP2.87
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.93
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decane-1,3-dione?
The IUPAC name of 8-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decane-1,3-dione (CID 118407980) is 8-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decane-1,3-dione.
What is the SMILES notation for 8-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decane-1,3-dione?
The canonical SMILES for 8-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decane-1,3-dione is O=C1CC2(CCN(c3c(Cl)cncc3-c3ccc(N4CCOCC4)cc3)CC2)C(=O)N1.
What is the InChIKey of 8-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decane-1,3-dione?
The InChIKey is PFYMXZQUKHUCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O3/c24-19-15-25-14-18(16-1-3-17(4-2-16)27-9-11-31-12-10-27)21(19)28-7-5-23(6-8-28)13-20(29)26-22(23)30/h1-4,14-15H,5-13H2,(H,26,29,30).
What are the key properties of 8-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decane-1,3-dione?
8-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decane-1,3-dione has a molecular weight of 440.93 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decane-1,3-dione is sourced from PubChem (CID 118407980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).