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

C23H23ClN6O2 — CID 118394955

IUPAC8-[3-chloro-5-[4-(1-methylpyrazol-4-yl)phenyl]-4-pyridinyl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCN1C(=O)NC(=O)C12CCN(c1c(Cl)cncc1-c1ccc(-c3cnn(C)c3)cc1)CC2
InChIInChI=1S/C23H23ClN6O2/c1-28-14-17(11-26-28)15-3-5-16(6-4-15)18-12-25-13-19(24)20(18)30-9-7-23(8-10-30)21(31)27-22(32)29(23)2/h3-6,11-14H,7-10H2,1-2H3,(H,27,31,32)
InChIKeyOSUSJQOYNWQHEC-UHFFFAOYSA-N
MW450.93 g/mol
LogP3.32
Rot. Bonds3

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

8-[3-chloro-5-[4-(1-methylpyrazol-4-yl)phenyl]-4-pyridinyl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 118394955) has the molecular formula C23H23ClN6O2 and a molecular weight of 450.93 g/mol. Its IUPAC name is 8-[3-chloro-5-[4-(1-methylpyrazol-4-yl)phenyl]-4-pyridinyl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-[3-chloro-5-[4-(1-methylpyrazol-4-yl)phenyl]-4-pyridinyl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID118394955
Molecular FormulaC23H23ClN6O2
Molecular Weight450.93 g/mol
Exact Mass450.16
IUPAC Name8-[3-chloro-5-[4-(1-methylpyrazol-4-yl)phenyl]-4-pyridinyl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCN1C(=O)NC(=O)C12CCN(c1c(Cl)cncc1-c1ccc(-c3cnn(C)c3)cc1)CC2
InChIInChI=1S/C23H23ClN6O2/c1-28-14-17(11-26-28)15-3-5-16(6-4-15)18-12-25-13-19(24)20(18)30-9-7-23(8-10-30)21(31)27-22(32)29(23)2/h3-6,11-14H,7-10H2,1-2H3,(H,27,31,32)
InChIKeyOSUSJQOYNWQHEC-UHFFFAOYSA-N
XLogP3.32
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.93
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

CID 77050682
CID 77050682
CID 74221937
CID 74221937
CID 74222191
CID 74222191
CID 74222786
CID 74222786
CID 74222788
CID 74222788
CID 118395000
CID 118395000
CID 118395090
CID 118395090
CID 118395096
CID 118395096
CID 118395125
CID 118395125
CID 118407960
CID 118407960
CID 118407979
CID 118407979
CID 118408035
CID 118408035

Frequently Asked Questions

What is the IUPAC name of 8-[3-chloro-5-[4-(1-methylpyrazol-4-yl)phenyl]-4-pyridinyl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-[3-chloro-5-[4-(1-methylpyrazol-4-yl)phenyl]-4-pyridinyl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 118394955) is 8-[3-chloro-5-[4-(1-methylpyrazol-4-yl)phenyl]-4-pyridinyl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-[3-chloro-5-[4-(1-methylpyrazol-4-yl)phenyl]-4-pyridinyl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-[3-chloro-5-[4-(1-methylpyrazol-4-yl)phenyl]-4-pyridinyl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is CN1C(=O)NC(=O)C12CCN(c1c(Cl)cncc1-c1ccc(-c3cnn(C)c3)cc1)CC2.
What is the InChIKey of 8-[3-chloro-5-[4-(1-methylpyrazol-4-yl)phenyl]-4-pyridinyl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is OSUSJQOYNWQHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN6O2/c1-28-14-17(11-26-28)15-3-5-16(6-4-15)18-12-25-13-19(24)20(18)30-9-7-23(8-10-30)21(31)27-22(32)29(23)2/h3-6,11-14H,7-10H2,1-2H3,(H,27,31,32).
What are the key properties of 8-[3-chloro-5-[4-(1-methylpyrazol-4-yl)phenyl]-4-pyridinyl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-[3-chloro-5-[4-(1-methylpyrazol-4-yl)phenyl]-4-pyridinyl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 450.93 g/mol, XLogP of 3.32, 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]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 118394955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).