3-tert-butyl-8-(1-methyl-3-phenylpyrazole-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decane-2,4-dione

C22H26N4O4 — CID 155942513

IUPAC3-tert-butyl-8-(1-methyl-3-phenylpyrazole-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decane-2,4-dione
SMILESCn1nc(-c2ccccc2)cc1C(=O)N1CCC2(CC1)OC(=O)N(C(C)(C)C)C2=O
InChIInChI=1S/C22H26N4O4/c1-21(2,3)26-19(28)22(30-20(26)29)10-12-25(13-11-22)18(27)17-14-16(23-24(17)4)15-8-6-5-7-9-15/h5-9,14H,10-13H2,1-4H3
InChIKeyZQGZNESCXJIAGE-UHFFFAOYSA-N
MW410.47 g/mol
LogP2.84
Rot. Bonds2

About 3-tert-butyl-8-(1-methyl-3-phenylpyrazole-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decane-2,4-dione

3-tert-butyl-8-(1-methyl-3-phenylpyrazole-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decane-2,4-dione (PubChem CID 155942513) has the molecular formula C22H26N4O4 and a molecular weight of 410.47 g/mol. Its IUPAC name is 3-tert-butyl-8-(1-methyl-3-phenylpyrazole-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-tert-butyl-8-(1-methyl-3-phenylpyrazole-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decane-2,4-dione
PubChem CID155942513
Molecular FormulaC22H26N4O4
Molecular Weight410.47 g/mol
Exact Mass410.20
IUPAC Name3-tert-butyl-8-(1-methyl-3-phenylpyrazole-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decane-2,4-dione
SMILESCn1nc(-c2ccccc2)cc1C(=O)N1CCC2(CC1)OC(=O)N(C(C)(C)C)C2=O
InChIInChI=1S/C22H26N4O4/c1-21(2,3)26-19(28)22(30-20(26)29)10-12-25(13-11-22)18(27)17-14-16(23-24(17)4)15-8-6-5-7-9-15/h5-9,14H,10-13H2,1-4H3
InChIKeyZQGZNESCXJIAGE-UHFFFAOYSA-N
XLogP2.84
TPSA84.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-tert-butyl-8-(1-methyl-3-phenylpyrazole-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decane-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-8-(1-methyl-3-phenylpyrazole-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-tert-butyl-8-(1-methyl-3-phenylpyrazole-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decane-2,4-dione (CID 155942513) is 3-tert-butyl-8-(1-methyl-3-phenylpyrazole-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-tert-butyl-8-(1-methyl-3-phenylpyrazole-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-tert-butyl-8-(1-methyl-3-phenylpyrazole-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decane-2,4-dione is Cn1nc(-c2ccccc2)cc1C(=O)N1CCC2(CC1)OC(=O)N(C(C)(C)C)C2=O.
What is the InChIKey of 3-tert-butyl-8-(1-methyl-3-phenylpyrazole-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is ZQGZNESCXJIAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4/c1-21(2,3)26-19(28)22(30-20(26)29)10-12-25(13-11-22)18(27)17-14-16(23-24(17)4)15-8-6-5-7-9-15/h5-9,14H,10-13H2,1-4H3.
What are the key properties of 3-tert-butyl-8-(1-methyl-3-phenylpyrazole-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decane-2,4-dione?
3-tert-butyl-8-(1-methyl-3-phenylpyrazole-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 410.47 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-8-(1-methyl-3-phenylpyrazole-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 155942513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).