8-[3-chloro-5-[4-(1-methylpyrazol-4-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decane-1,3-dione

C23H22ClN5O2 — CID 118730682

IUPAC8-[3-chloro-5-[4-(1-methylpyrazol-4-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decane-1,3-dione
SMILESCn1cc(-c2ccc(-c3cncc(Cl)c3N3CCC4(CC3)CC(=O)NC4=O)cc2)cn1
InChIInChI=1S/C23H22ClN5O2/c1-28-14-17(11-26-28)15-2-4-16(5-3-15)18-12-25-13-19(24)21(18)29-8-6-23(7-9-29)10-20(30)27-22(23)31/h2-5,11-14H,6-10H2,1H3,(H,27,30,31)
InChIKeyACQYMGJSHAQOOW-UHFFFAOYSA-N
MW435.92 g/mol
LogP3.44
Rot. Bonds3

About 8-[3-chloro-5-[4-(1-methylpyrazol-4-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decane-1,3-dione

8-[3-chloro-5-[4-(1-methylpyrazol-4-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decane-1,3-dione (PubChem CID 118730682) has the molecular formula C23H22ClN5O2 and a molecular weight of 435.92 g/mol. Its IUPAC name is 8-[3-chloro-5-[4-(1-methylpyrazol-4-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decane-1,3-dione.

Molecular Properties

Compound Name8-[3-chloro-5-[4-(1-methylpyrazol-4-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decane-1,3-dione
PubChem CID118730682
Molecular FormulaC23H22ClN5O2
Molecular Weight435.92 g/mol
Exact Mass435.15
IUPAC Name8-[3-chloro-5-[4-(1-methylpyrazol-4-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decane-1,3-dione
SMILESCn1cc(-c2ccc(-c3cncc(Cl)c3N3CCC4(CC3)CC(=O)NC4=O)cc2)cn1
InChIInChI=1S/C23H22ClN5O2/c1-28-14-17(11-26-28)15-2-4-16(5-3-15)18-12-25-13-19(24)21(18)29-8-6-23(7-9-29)10-20(30)27-22(23)31/h2-5,11-14H,6-10H2,1H3,(H,27,30,31)
InChIKeyACQYMGJSHAQOOW-UHFFFAOYSA-N
XLogP3.44
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.92
LogP ≤ 53.44
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-(1-methylpyrazol-4-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decane-1,3-dione?
The IUPAC name of 8-[3-chloro-5-[4-(1-methylpyrazol-4-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decane-1,3-dione (CID 118730682) is 8-[3-chloro-5-[4-(1-methylpyrazol-4-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decane-1,3-dione.
What is the SMILES notation for 8-[3-chloro-5-[4-(1-methylpyrazol-4-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decane-1,3-dione?
The canonical SMILES for 8-[3-chloro-5-[4-(1-methylpyrazol-4-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decane-1,3-dione is Cn1cc(-c2ccc(-c3cncc(Cl)c3N3CCC4(CC3)CC(=O)NC4=O)cc2)cn1.
What is the InChIKey of 8-[3-chloro-5-[4-(1-methylpyrazol-4-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decane-1,3-dione?
The InChIKey is ACQYMGJSHAQOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN5O2/c1-28-14-17(11-26-28)15-2-4-16(5-3-15)18-12-25-13-19(24)21(18)29-8-6-23(7-9-29)10-20(30)27-22(23)31/h2-5,11-14H,6-10H2,1H3,(H,27,30,31).
What are the key properties of 8-[3-chloro-5-[4-(1-methylpyrazol-4-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decane-1,3-dione?
8-[3-chloro-5-[4-(1-methylpyrazol-4-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decane-1,3-dione has a molecular weight of 435.92 g/mol, XLogP of 3.44, 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-(1-methylpyrazol-4-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decane-1,3-dione is sourced from PubChem (CID 118730682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).