[1-[5-(3-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-yl]-morpholin-4-ylmethanone

C25H23FN4O3 — CID 129282310

IUPAC[1-[5-(3-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-yl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc2c(c1)N(c1ncc(-c3cccc(F)c3)cn1)CC21COC1)N1CCOCC1
InChIInChI=1S/C25H23FN4O3/c26-20-3-1-2-17(10-20)19-12-27-24(28-13-19)30-14-25(15-33-16-25)21-5-4-18(11-22(21)30)23(31)29-6-8-32-9-7-29/h1-5,10-13H,6-9,14-16H2
InChIKeyAGAKFUWIMOAJGR-UHFFFAOYSA-N
MW446.48 g/mol
LogP3.17
Rot. Bonds3

About [1-[5-(3-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-yl]-morpholin-4-ylmethanone

[1-[5-(3-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-yl]-morpholin-4-ylmethanone (PubChem CID 129282310) has the molecular formula C25H23FN4O3 and a molecular weight of 446.48 g/mol. Its IUPAC name is [1-[5-(3-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[5-(3-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-yl]-morpholin-4-ylmethanone
PubChem CID129282310
Molecular FormulaC25H23FN4O3
Molecular Weight446.48 g/mol
Exact Mass446.18
IUPAC Name[1-[5-(3-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-yl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc2c(c1)N(c1ncc(-c3cccc(F)c3)cn1)CC21COC1)N1CCOCC1
InChIInChI=1S/C25H23FN4O3/c26-20-3-1-2-17(10-20)19-12-27-24(28-13-19)30-14-25(15-33-16-25)21-5-4-18(11-22(21)30)23(31)29-6-8-32-9-7-29/h1-5,10-13H,6-9,14-16H2
InChIKeyAGAKFUWIMOAJGR-UHFFFAOYSA-N
XLogP3.17
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.48
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[5-(3-chlorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone
CID 118659884
[1-[5-(2-fluoro-5-methylphenyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-yl]-morpholin-4-ylmethanone
CID 129282314
[1-[5-(2-methyl-4-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone
CID 118659912
[1-[5-(2-chlorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone
CID 118659916
[1-[5-[5-(2-hydroxypropan-2-yl)thiophen-2-yl]pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone
CID 118660291
[1-[5-(4-amino-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone
CID 118659803
[1-[5-[(2-fluorophenyl)methyl]pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone
CID 118659845
[1-[5-(4-cyclopropyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone
CID 118660008
N-[2-[2-[6-(morpholine-4-carbonyl)spiro[2H-indole-3,1'-cyclopropane]-1-yl]pyrimidin-5-yl]-4-pyridinyl]acetamide
CID 118660029
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
2-[2-[2-[6-(morpholine-4-carbonyl)spiro[2H-indole-3,1'-cyclopropane]-1-yl]pyrimidin-5-yl]-4-pyridinyl]acetamide
CID 175044125
1-[5-(3-fluorophenyl)pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide
CID 138403783

Frequently Asked Questions

What is the IUPAC name of [1-[5-(3-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[5-(3-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-yl]-morpholin-4-ylmethanone (CID 129282310) is [1-[5-(3-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[5-(3-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[5-(3-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-yl]-morpholin-4-ylmethanone is O=C(c1ccc2c(c1)N(c1ncc(-c3cccc(F)c3)cn1)CC21COC1)N1CCOCC1.
What is the InChIKey of [1-[5-(3-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-yl]-morpholin-4-ylmethanone?
The InChIKey is AGAKFUWIMOAJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O3/c26-20-3-1-2-17(10-20)19-12-27-24(28-13-19)30-14-25(15-33-16-25)21-5-4-18(11-22(21)30)23(31)29-6-8-32-9-7-29/h1-5,10-13H,6-9,14-16H2.
What are the key properties of [1-[5-(3-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-yl]-morpholin-4-ylmethanone?
[1-[5-(3-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-yl]-morpholin-4-ylmethanone has a molecular weight of 446.48 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(3-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 129282310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).