[7-(3-fluorophenyl)-8,8-dimethyl-1,7-diazaspiro[4.4]nonan-1-yl]-(4-methylpyrimidin-5-yl)methanone

C21H25FN4O — CID 155999753

IUPAC[7-(3-fluorophenyl)-8,8-dimethyl-1,7-diazaspiro[4.4]nonan-1-yl]-(4-methylpyrimidin-5-yl)methanone
SMILESCc1ncncc1C(=O)N1CCCC12CN(c1cccc(F)c1)C(C)(C)C2
InChIInChI=1S/C21H25FN4O/c1-15-18(11-23-14-24-15)19(27)25-9-5-8-21(25)12-20(2,3)26(13-21)17-7-4-6-16(22)10-17/h4,6-7,10-11,14H,5,8-9,12-13H2,1-3H3
InChIKeyWCIUQAQKWAETDD-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.59
Rot. Bonds2

About [7-(3-fluorophenyl)-8,8-dimethyl-1,7-diazaspiro[4.4]nonan-1-yl]-(4-methylpyrimidin-5-yl)methanone

[7-(3-fluorophenyl)-8,8-dimethyl-1,7-diazaspiro[4.4]nonan-1-yl]-(4-methylpyrimidin-5-yl)methanone (PubChem CID 155999753) has the molecular formula C21H25FN4O and a molecular weight of 368.46 g/mol. Its IUPAC name is [7-(3-fluorophenyl)-8,8-dimethyl-1,7-diazaspiro[4.4]nonan-1-yl]-(4-methylpyrimidin-5-yl)methanone.

Molecular Properties

Compound Name[7-(3-fluorophenyl)-8,8-dimethyl-1,7-diazaspiro[4.4]nonan-1-yl]-(4-methylpyrimidin-5-yl)methanone
PubChem CID155999753
Molecular FormulaC21H25FN4O
Molecular Weight368.46 g/mol
Exact Mass368.20
IUPAC Name[7-(3-fluorophenyl)-8,8-dimethyl-1,7-diazaspiro[4.4]nonan-1-yl]-(4-methylpyrimidin-5-yl)methanone
SMILESCc1ncncc1C(=O)N1CCCC12CN(c1cccc(F)c1)C(C)(C)C2
InChIInChI=1S/C21H25FN4O/c1-15-18(11-23-14-24-15)19(27)25-9-5-8-21(25)12-20(2,3)26(13-21)17-7-4-6-16(22)10-17/h4,6-7,10-11,14H,5,8-9,12-13H2,1-3H3
InChIKeyWCIUQAQKWAETDD-UHFFFAOYSA-N
XLogP3.59
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [7-(3-fluorophenyl)-8,8-dimethyl-1,7-diazaspiro[4.4]nonan-1-yl]-(4-methylpyrimidin-5-yl)methanone 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 [7-(3-fluorophenyl)-8,8-dimethyl-1,7-diazaspiro[4.4]nonan-1-yl]-(4-methylpyrimidin-5-yl)methanone?
The IUPAC name of [7-(3-fluorophenyl)-8,8-dimethyl-1,7-diazaspiro[4.4]nonan-1-yl]-(4-methylpyrimidin-5-yl)methanone (CID 155999753) is [7-(3-fluorophenyl)-8,8-dimethyl-1,7-diazaspiro[4.4]nonan-1-yl]-(4-methylpyrimidin-5-yl)methanone.
What is the SMILES notation for [7-(3-fluorophenyl)-8,8-dimethyl-1,7-diazaspiro[4.4]nonan-1-yl]-(4-methylpyrimidin-5-yl)methanone?
The canonical SMILES for [7-(3-fluorophenyl)-8,8-dimethyl-1,7-diazaspiro[4.4]nonan-1-yl]-(4-methylpyrimidin-5-yl)methanone is Cc1ncncc1C(=O)N1CCCC12CN(c1cccc(F)c1)C(C)(C)C2.
What is the InChIKey of [7-(3-fluorophenyl)-8,8-dimethyl-1,7-diazaspiro[4.4]nonan-1-yl]-(4-methylpyrimidin-5-yl)methanone?
The InChIKey is WCIUQAQKWAETDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O/c1-15-18(11-23-14-24-15)19(27)25-9-5-8-21(25)12-20(2,3)26(13-21)17-7-4-6-16(22)10-17/h4,6-7,10-11,14H,5,8-9,12-13H2,1-3H3.
What are the key properties of [7-(3-fluorophenyl)-8,8-dimethyl-1,7-diazaspiro[4.4]nonan-1-yl]-(4-methylpyrimidin-5-yl)methanone?
[7-(3-fluorophenyl)-8,8-dimethyl-1,7-diazaspiro[4.4]nonan-1-yl]-(4-methylpyrimidin-5-yl)methanone has a molecular weight of 368.46 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(3-fluorophenyl)-8,8-dimethyl-1,7-diazaspiro[4.4]nonan-1-yl]-(4-methylpyrimidin-5-yl)methanone is sourced from PubChem (CID 155999753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).