1-[5-(2-fluorophenyl)pyrimidin-2-yl]-N,N-dimethylspiro[2H-indole-3,3'-oxetane]-6-carboxamide

C23H21FN4O2 — CID 129282269

IUPAC1-[5-(2-fluorophenyl)pyrimidin-2-yl]-N,N-dimethylspiro[2H-indole-3,3'-oxetane]-6-carboxamide
SMILESCN(C)C(=O)c1ccc2c(c1)N(c1ncc(-c3ccccc3F)cn1)CC21COC1
InChIInChI=1S/C23H21FN4O2/c1-27(2)21(29)15-7-8-18-20(9-15)28(12-23(18)13-30-14-23)22-25-10-16(11-26-22)17-5-3-4-6-19(17)24/h3-11H,12-14H2,1-2H3
InChIKeyXUBAKNDZKLQJSB-UHFFFAOYSA-N
MW404.45 g/mol
LogP3.40
Rot. Bonds3

About 1-[5-(2-fluorophenyl)pyrimidin-2-yl]-N,N-dimethylspiro[2H-indole-3,3'-oxetane]-6-carboxamide

1-[5-(2-fluorophenyl)pyrimidin-2-yl]-N,N-dimethylspiro[2H-indole-3,3'-oxetane]-6-carboxamide (PubChem CID 129282269) has the molecular formula C23H21FN4O2 and a molecular weight of 404.45 g/mol. Its IUPAC name is 1-[5-(2-fluorophenyl)pyrimidin-2-yl]-N,N-dimethylspiro[2H-indole-3,3'-oxetane]-6-carboxamide.

Molecular Properties

Compound Name1-[5-(2-fluorophenyl)pyrimidin-2-yl]-N,N-dimethylspiro[2H-indole-3,3'-oxetane]-6-carboxamide
PubChem CID129282269
Molecular FormulaC23H21FN4O2
Molecular Weight404.45 g/mol
Exact Mass404.16
IUPAC Name1-[5-(2-fluorophenyl)pyrimidin-2-yl]-N,N-dimethylspiro[2H-indole-3,3'-oxetane]-6-carboxamide
SMILESCN(C)C(=O)c1ccc2c(c1)N(c1ncc(-c3ccccc3F)cn1)CC21COC1
InChIInChI=1S/C23H21FN4O2/c1-27(2)21(29)15-7-8-18-20(9-15)28(12-23(18)13-30-14-23)22-25-10-16(11-26-22)17-5-3-4-6-19(17)24/h3-11H,12-14H2,1-2H3
InChIKeyXUBAKNDZKLQJSB-UHFFFAOYSA-N
XLogP3.40
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[5-(2-fluorophenyl)pyrimidin-2-yl]-N,N-dimethylspiro[2H-indole-3,3'-oxetane]-6-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

6-[3,3-Dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]-7-fluoro-1,3,3-trimethylindol-2-one
CID 129126909
3-[[4-[(3R)-7-cyano-3-(hydroxymethyl)-3-methyl-1,2-dihydroindol-5-yl]pyrimidin-2-yl]amino]-N,4-dimethylbenzamide
CID 130270547
(3E)-3-[1-(2-methoxypyrimidin-5-yl)butylidene]-2-phenylisoindol-1-one
CID 25058255
[1-[5-(2,4-Difluoro-phenyl)-pyrimidin-2-yl]-spiro[1,2-dihydro-indole-3,1''-cyclopropane]-6-yl]-piperazin-1-yl-methanone
CID 118659748
[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-[(3R)-3-(hydroxymethyl)piperidin-1-yl]methanone
CID 118659759
[1-[5-(2-Fluorophenyl)-pyrimidin-2-yl]-spiro[1,2-dihydro-indole-3,1''-cyclopropane]-6-yl]thiomorpholin-4-yl-methanone
CID 118659762
[1-[5-(2,6-Difluoro-phenyl)-pyrimidin-2-yl]-spiro[1,2-dihydro-indole-3,1''-cyclopropane]-6-yl]-morpholin-4-yl-methanone
CID 118659763
methyl 2-[[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-carbonyl]-methylamino]acetate
CID 118659771
4-Fluoro-3-[2-[6-(morpholine-4-carbonyl)-spiro[1,2-dihydro-indole-3,1''-cyclopropane]-1-yl]-pyrimidin-5-yl]-benzonitrile
CID 118659777
1-[5-(6-fluoro-2-pyridinyl)pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide
CID 118659778
1-[5-(2-fluoro-5-pyrrolidin-1-ylphenyl)pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide
CID 118659783
[1-[5-(1-Fluorophenyl)-pyrimidin-2-yl]-spiro[1,2-dihydro-indole-3,1''-cyclopropane]-6-yl]-pyrrolidin-1-yl-methanone
CID 118659786

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-fluorophenyl)pyrimidin-2-yl]-N,N-dimethylspiro[2H-indole-3,3'-oxetane]-6-carboxamide?
The IUPAC name of 1-[5-(2-fluorophenyl)pyrimidin-2-yl]-N,N-dimethylspiro[2H-indole-3,3'-oxetane]-6-carboxamide (CID 129282269) is 1-[5-(2-fluorophenyl)pyrimidin-2-yl]-N,N-dimethylspiro[2H-indole-3,3'-oxetane]-6-carboxamide.
What is the SMILES notation for 1-[5-(2-fluorophenyl)pyrimidin-2-yl]-N,N-dimethylspiro[2H-indole-3,3'-oxetane]-6-carboxamide?
The canonical SMILES for 1-[5-(2-fluorophenyl)pyrimidin-2-yl]-N,N-dimethylspiro[2H-indole-3,3'-oxetane]-6-carboxamide is CN(C)C(=O)c1ccc2c(c1)N(c1ncc(-c3ccccc3F)cn1)CC21COC1.
What is the InChIKey of 1-[5-(2-fluorophenyl)pyrimidin-2-yl]-N,N-dimethylspiro[2H-indole-3,3'-oxetane]-6-carboxamide?
The InChIKey is XUBAKNDZKLQJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O2/c1-27(2)21(29)15-7-8-18-20(9-15)28(12-23(18)13-30-14-23)22-25-10-16(11-26-22)17-5-3-4-6-19(17)24/h3-11H,12-14H2,1-2H3.
What are the key properties of 1-[5-(2-fluorophenyl)pyrimidin-2-yl]-N,N-dimethylspiro[2H-indole-3,3'-oxetane]-6-carboxamide?
1-[5-(2-fluorophenyl)pyrimidin-2-yl]-N,N-dimethylspiro[2H-indole-3,3'-oxetane]-6-carboxamide has a molecular weight of 404.45 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-fluorophenyl)pyrimidin-2-yl]-N,N-dimethylspiro[2H-indole-3,3'-oxetane]-6-carboxamide is sourced from PubChem (CID 129282269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).