[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl] N-methylcarbamate

C22H19FN4O2 — CID 129309327

IUPAC[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl] N-methylcarbamate
SMILESCNC(=O)Oc1ccc2c(c1)N(c1ncc(-c3ccccc3F)cn1)CC21CC1
InChIInChI=1S/C22H19FN4O2/c1-24-21(28)29-15-6-7-17-19(10-15)27(13-22(17)8-9-22)20-25-11-14(12-26-20)16-4-2-3-5-18(16)23/h2-7,10-12H,8-9,13H2,1H3,(H,24,28)
InChIKeyYUQFFAVOFBKULO-UHFFFAOYSA-N
MW390.42 g/mol
LogP4.18
Rot. Bonds3

About [1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl] N-methylcarbamate

[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl] N-methylcarbamate (PubChem CID 129309327) has the molecular formula C22H19FN4O2 and a molecular weight of 390.42 g/mol. Its IUPAC name is [1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl] N-methylcarbamate.

Molecular Properties

Compound Name[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl] N-methylcarbamate
PubChem CID129309327
Molecular FormulaC22H19FN4O2
Molecular Weight390.42 g/mol
Exact Mass390.15
IUPAC Name[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl] N-methylcarbamate
SMILESCNC(=O)Oc1ccc2c(c1)N(c1ncc(-c3ccccc3F)cn1)CC21CC1
InChIInChI=1S/C22H19FN4O2/c1-24-21(28)29-15-6-7-17-19(10-15)27(13-22(17)8-9-22)20-25-11-14(12-26-20)16-4-2-3-5-18(16)23/h2-7,10-12H,8-9,13H2,1H3,(H,24,28)
InChIKeyYUQFFAVOFBKULO-UHFFFAOYSA-N
XLogP4.18
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methyl]acetamide
CID 129309552
1-[5-(2-fluorophenyl)pyrimidin-2-yl]-6-propan-2-ylsulfanylspiro[2H-indole-3,1'-cyclopropane]
CID 129309399
[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methanone
CID 118660002
6-dimethylphosphoryl-1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]
CID 129282323
1-[5-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-carbaldehyde
CID 141487187
2-chloro-5-(2-fluorophenyl)pyrimidine;[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone;morpholin-4-yl(spiro[1,2-dihydroindole-3,1'-cyclopropane]-6-yl)methanone
CID 162030069
ethane;1-[1-[5-(2-methylphenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]ethanone;2-methylpropan-1-ol
CID 144998643
[1-[5-[(2-fluorophenyl)methyl]pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone
CID 118659845
[1-[5-(2-chlorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone
CID 118659916
1-[3-[2-(6-ethylsulfanylspiro[2H-indole-3,1'-cyclopropane]-1-yl)pyrimidin-5-yl]-4-fluorophenyl]ethanol
CID 129309447
1-[5-(3-fluorophenyl)pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide
CID 138403783
N-(2-amino-2-oxoethyl)-1-[5-(2-fluoro-5-methoxyphenyl)pyrimidin-2-yl]-N-methylspiro[2H-indole-3,3'-oxetane]-6-carboxamide
CID 129282377

Frequently Asked Questions

What is the IUPAC name of [1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl] N-methylcarbamate?
The IUPAC name of [1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl] N-methylcarbamate (CID 129309327) is [1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl] N-methylcarbamate.
What is the SMILES notation for [1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl] N-methylcarbamate?
The canonical SMILES for [1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl] N-methylcarbamate is CNC(=O)Oc1ccc2c(c1)N(c1ncc(-c3ccccc3F)cn1)CC21CC1.
What is the InChIKey of [1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl] N-methylcarbamate?
The InChIKey is YUQFFAVOFBKULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O2/c1-24-21(28)29-15-6-7-17-19(10-15)27(13-22(17)8-9-22)20-25-11-14(12-26-20)16-4-2-3-5-18(16)23/h2-7,10-12H,8-9,13H2,1H3,(H,24,28).
What are the key properties of [1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl] N-methylcarbamate?
[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl] N-methylcarbamate has a molecular weight of 390.42 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl] N-methylcarbamate is sourced from PubChem (CID 129309327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).