8-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methyl-3-(naphthalen-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C25H29N5O2 — CID 26136162

IUPAC8-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methyl-3-(naphthalen-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCc1c(CN2CCC3(CC2)C(=O)N(Cc2ccc4ccccc4c2)C(=O)N3C)cnn1C
InChIInChI=1S/C25H29N5O2/c1-18-22(15-26-28(18)3)17-29-12-10-25(11-13-29)23(31)30(24(32)27(25)2)16-19-8-9-20-6-4-5-7-21(20)14-19/h4-9,14-15H,10-13,16-17H2,1-3H3
InChIKeyYCBMUGQXUSWGKE-UHFFFAOYSA-N
MW431.54 g/mol
LogP3.31
Rot. Bonds4

About 8-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methyl-3-(naphthalen-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methyl-3-(naphthalen-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 26136162) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is 8-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methyl-3-(naphthalen-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methyl-3-(naphthalen-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID26136162
Molecular FormulaC25H29N5O2
Molecular Weight431.54 g/mol
Exact Mass431.23
IUPAC Name8-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methyl-3-(naphthalen-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCc1c(CN2CCC3(CC2)C(=O)N(Cc2ccc4ccccc4c2)C(=O)N3C)cnn1C
InChIInChI=1S/C25H29N5O2/c1-18-22(15-26-28(18)3)17-29-12-10-25(11-13-29)23(31)30(24(32)27(25)2)16-19-8-9-20-6-4-5-7-21(20)14-19/h4-9,14-15H,10-13,16-17H2,1-3H3
InChIKeyYCBMUGQXUSWGKE-UHFFFAOYSA-N
XLogP3.31
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methyl-3-(naphthalen-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methyl-3-(naphthalen-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 26136162) is 8-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methyl-3-(naphthalen-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methyl-3-(naphthalen-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methyl-3-(naphthalen-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is Cc1c(CN2CCC3(CC2)C(=O)N(Cc2ccc4ccccc4c2)C(=O)N3C)cnn1C.
What is the InChIKey of 8-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methyl-3-(naphthalen-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is YCBMUGQXUSWGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2/c1-18-22(15-26-28(18)3)17-29-12-10-25(11-13-29)23(31)30(24(32)27(25)2)16-19-8-9-20-6-4-5-7-21(20)14-19/h4-9,14-15H,10-13,16-17H2,1-3H3.
What are the key properties of 8-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methyl-3-(naphthalen-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methyl-3-(naphthalen-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 431.54 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methyl-3-(naphthalen-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 26136162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).