1-[7-morpholin-4-yl-1-[5-(trifluoromethyl)-2-pyridinyl]indolizin-3-yl]ethanone

C20H18F3N3O2 — CID 127042049

IUPAC1-[7-morpholin-4-yl-1-[5-(trifluoromethyl)-2-pyridinyl]indolizin-3-yl]ethanone
SMILESCC(=O)c1cc(-c2ccc(C(F)(F)F)cn2)c2cc(N3CCOCC3)ccn12
InChIInChI=1S/C20H18F3N3O2/c1-13(27)18-11-16(17-3-2-14(12-24-17)20(21,22)23)19-10-15(4-5-26(18)19)25-6-8-28-9-7-25/h2-5,10-12H,6-9H2,1H3
InChIKeyWQCNFRHMJJKMIG-UHFFFAOYSA-N
MW389.38 g/mol
LogP4.06
Rot. Bonds3

About 1-[7-morpholin-4-yl-1-[5-(trifluoromethyl)-2-pyridinyl]indolizin-3-yl]ethanone

1-[7-morpholin-4-yl-1-[5-(trifluoromethyl)-2-pyridinyl]indolizin-3-yl]ethanone (PubChem CID 127042049) has the molecular formula C20H18F3N3O2 and a molecular weight of 389.38 g/mol. Its IUPAC name is 1-[7-morpholin-4-yl-1-[5-(trifluoromethyl)-2-pyridinyl]indolizin-3-yl]ethanone.

Molecular Properties

Compound Name1-[7-morpholin-4-yl-1-[5-(trifluoromethyl)-2-pyridinyl]indolizin-3-yl]ethanone
PubChem CID127042049
Molecular FormulaC20H18F3N3O2
Molecular Weight389.38 g/mol
Exact Mass389.14
IUPAC Name1-[7-morpholin-4-yl-1-[5-(trifluoromethyl)-2-pyridinyl]indolizin-3-yl]ethanone
SMILESCC(=O)c1cc(-c2ccc(C(F)(F)F)cn2)c2cc(N3CCOCC3)ccn12
InChIInChI=1S/C20H18F3N3O2/c1-13(27)18-11-16(17-3-2-14(12-24-17)20(21,22)23)19-10-15(4-5-26(18)19)25-6-8-28-9-7-25/h2-5,10-12H,6-9H2,1H3
InChIKeyWQCNFRHMJJKMIG-UHFFFAOYSA-N
XLogP4.06
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.38
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[7-(Morpholin-4-Yl)-1-(Pyridin-2-Yl)indolizin-3-Yl]ethanone
CID 70680607
1-[1-(Pyridin-2-Yl)indolizin-3-Yl]ethan-1-One
CID 54759170
(3-Fluorophenyl)-(2-methylindolizin-3-yl)methanone
CID 2322044
(2-Fluorophenyl)-(2-methylindolizin-3-yl)methanone
CID 2322045
N-{[3-(4-fluorobenzoyl)-2-methylindolizin-1-yl]methylidene}hydroxylamine
CID 6904896
N,N-dimethyl-2-oxo-2-(2-phenylindolizin-3-yl)acetamide
CID 1566157
1-(1-Methyl-1H-pyrrol-2-yl)-2-morpholin-4-yl-2-phenyl-ethanone
CID 44398289
1-[1-[2-(Hydroxymethyl)phenyl]-7-morpholin-4-ylindolizin-3-yl]ethanone
CID 127026589
3-(4-Fluorobenzoyl)-2-methylindolizine
CID 2311706
1-[1-[4-(Dimethylamino)phenyl]indolizin-3-yl]ethanone
CID 127026581
1-(2-Phenylindolizin-3-yl)ethanone
CID 3766827
2-(2,6-Difluorophenyl)-4-[[6-(morpholine-4-carbonyl)-3-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 118347794

Frequently Asked Questions

What is the IUPAC name of 1-[7-morpholin-4-yl-1-[5-(trifluoromethyl)-2-pyridinyl]indolizin-3-yl]ethanone?
The IUPAC name of 1-[7-morpholin-4-yl-1-[5-(trifluoromethyl)-2-pyridinyl]indolizin-3-yl]ethanone (CID 127042049) is 1-[7-morpholin-4-yl-1-[5-(trifluoromethyl)-2-pyridinyl]indolizin-3-yl]ethanone.
What is the SMILES notation for 1-[7-morpholin-4-yl-1-[5-(trifluoromethyl)-2-pyridinyl]indolizin-3-yl]ethanone?
The canonical SMILES for 1-[7-morpholin-4-yl-1-[5-(trifluoromethyl)-2-pyridinyl]indolizin-3-yl]ethanone is CC(=O)c1cc(-c2ccc(C(F)(F)F)cn2)c2cc(N3CCOCC3)ccn12.
What is the InChIKey of 1-[7-morpholin-4-yl-1-[5-(trifluoromethyl)-2-pyridinyl]indolizin-3-yl]ethanone?
The InChIKey is WQCNFRHMJJKMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O2/c1-13(27)18-11-16(17-3-2-14(12-24-17)20(21,22)23)19-10-15(4-5-26(18)19)25-6-8-28-9-7-25/h2-5,10-12H,6-9H2,1H3.
What are the key properties of 1-[7-morpholin-4-yl-1-[5-(trifluoromethyl)-2-pyridinyl]indolizin-3-yl]ethanone?
1-[7-morpholin-4-yl-1-[5-(trifluoromethyl)-2-pyridinyl]indolizin-3-yl]ethanone has a molecular weight of 389.38 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-morpholin-4-yl-1-[5-(trifluoromethyl)-2-pyridinyl]indolizin-3-yl]ethanone is sourced from PubChem (CID 127042049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).