1-[3-[5-(2-fluorophenyl)pyrimidin-2-yl]-5-(morpholine-4-carbonyl)indol-1-yl]ethanone

C25H21FN4O3 — CID 137367695

IUPAC1-[3-[5-(2-fluorophenyl)pyrimidin-2-yl]-5-(morpholine-4-carbonyl)indol-1-yl]ethanone
SMILESCC(=O)n1cc(-c2ncc(-c3ccccc3F)cn2)c2cc(C(=O)N3CCOCC3)ccc21
InChIInChI=1S/C25H21FN4O3/c1-16(31)30-15-21(24-27-13-18(14-28-24)19-4-2-3-5-22(19)26)20-12-17(6-7-23(20)30)25(32)29-8-10-33-11-9-29/h2-7,12-15H,8-11H2,1H3
InChIKeyOOXJKIXQDAOHPB-UHFFFAOYSA-N
MW444.47 g/mol
LogP4.04
Rot. Bonds3

About 1-[3-[5-(2-fluorophenyl)pyrimidin-2-yl]-5-(morpholine-4-carbonyl)indol-1-yl]ethanone

1-[3-[5-(2-fluorophenyl)pyrimidin-2-yl]-5-(morpholine-4-carbonyl)indol-1-yl]ethanone (PubChem CID 137367695) has the molecular formula C25H21FN4O3 and a molecular weight of 444.47 g/mol. Its IUPAC name is 1-[3-[5-(2-fluorophenyl)pyrimidin-2-yl]-5-(morpholine-4-carbonyl)indol-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[5-(2-fluorophenyl)pyrimidin-2-yl]-5-(morpholine-4-carbonyl)indol-1-yl]ethanone
PubChem CID137367695
Molecular FormulaC25H21FN4O3
Molecular Weight444.47 g/mol
Exact Mass444.16
IUPAC Name1-[3-[5-(2-fluorophenyl)pyrimidin-2-yl]-5-(morpholine-4-carbonyl)indol-1-yl]ethanone
SMILESCC(=O)n1cc(-c2ncc(-c3ccccc3F)cn2)c2cc(C(=O)N3CCOCC3)ccc21
InChIInChI=1S/C25H21FN4O3/c1-16(31)30-15-21(24-27-13-18(14-28-24)19-4-2-3-5-22(19)26)20-12-17(6-7-23(20)30)25(32)29-8-10-33-11-9-29/h2-7,12-15H,8-11H2,1H3
InChIKeyOOXJKIXQDAOHPB-UHFFFAOYSA-N
XLogP4.04
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.47
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[3-[5-(2-fluorophenyl)pyrimidin-2-yl]-1-methylsulfonylindol-5-yl]-morpholin-4-ylmethanone
CID 137367070
[3-[5-(4-methyl-2-pyridinyl)pyrimidin-2-yl]-1-methylsulfonylindol-5-yl]-morpholin-4-ylmethanone
CID 137367091
[3-[5-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]pyrimidin-2-yl]-1-methylsulfonylindol-5-yl]-morpholin-4-ylmethanone
CID 137367847
[1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-methylindol-6-yl]-(4-methylpiperazin-1-yl)methanone
CID 118671727
[1-[5-(2-chlorophenyl)pyrimidin-2-yl]-3-methylsulfanylindol-6-yl]-morpholin-4-ylmethanone
CID 118666113
[1-cyclopropyl-3-(5-phenylpyrimidin-2-yl)indazol-5-yl]-morpholin-4-ylmethanone
CID 137367126
[1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-methylsulfinylindol-6-yl]-[(2S)-2-methylmorpholin-4-yl]methanone
CID 118666022
[1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-methylsulfinylindol-6-yl]-thiomorpholin-4-ylmethanone
CID 118676837
[1-[5-(2,6-difluorophenyl)pyrimidin-2-yl]-3-methylsulfinylindol-6-yl]-morpholin-4-ylmethanone
CID 118666196
CID 90319937
CID 90319937
[3-cyclopropyl-1-[5-(2-fluoro-5-methylsulfinylphenyl)pyrimidin-2-yl]indazol-6-yl]-morpholin-4-ylmethanone
CID 118662812
[1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-methylsulfinylindol-6-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 118676917

Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-(2-fluorophenyl)pyrimidin-2-yl]-5-(morpholine-4-carbonyl)indol-1-yl]ethanone?
The IUPAC name of 1-[3-[5-(2-fluorophenyl)pyrimidin-2-yl]-5-(morpholine-4-carbonyl)indol-1-yl]ethanone (CID 137367695) is 1-[3-[5-(2-fluorophenyl)pyrimidin-2-yl]-5-(morpholine-4-carbonyl)indol-1-yl]ethanone.
What is the SMILES notation for 1-[3-[5-(2-fluorophenyl)pyrimidin-2-yl]-5-(morpholine-4-carbonyl)indol-1-yl]ethanone?
The canonical SMILES for 1-[3-[5-(2-fluorophenyl)pyrimidin-2-yl]-5-(morpholine-4-carbonyl)indol-1-yl]ethanone is CC(=O)n1cc(-c2ncc(-c3ccccc3F)cn2)c2cc(C(=O)N3CCOCC3)ccc21.
What is the InChIKey of 1-[3-[5-(2-fluorophenyl)pyrimidin-2-yl]-5-(morpholine-4-carbonyl)indol-1-yl]ethanone?
The InChIKey is OOXJKIXQDAOHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN4O3/c1-16(31)30-15-21(24-27-13-18(14-28-24)19-4-2-3-5-22(19)26)20-12-17(6-7-23(20)30)25(32)29-8-10-33-11-9-29/h2-7,12-15H,8-11H2,1H3.
What are the key properties of 1-[3-[5-(2-fluorophenyl)pyrimidin-2-yl]-5-(morpholine-4-carbonyl)indol-1-yl]ethanone?
1-[3-[5-(2-fluorophenyl)pyrimidin-2-yl]-5-(morpholine-4-carbonyl)indol-1-yl]ethanone has a molecular weight of 444.47 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[5-(2-fluorophenyl)pyrimidin-2-yl]-5-(morpholine-4-carbonyl)indol-1-yl]ethanone is sourced from PubChem (CID 137367695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).