[3-fluoro-2-(trifluoromethyl)phenyl]-[1-(morpholin-4-ylmethyl)imidazo[1,5-a]pyridin-3-yl]methanone

C20H17F4N3O2 — CID 54585060

IUPAC[3-fluoro-2-(trifluoromethyl)phenyl]-[1-(morpholin-4-ylmethyl)imidazo[1,5-a]pyridin-3-yl]methanone
SMILESO=C(c1cccc(F)c1C(F)(F)F)c1nc(CN2CCOCC2)c2ccccn12
InChIInChI=1S/C20H17F4N3O2/c21-14-5-3-4-13(17(14)20(22,23)24)18(28)19-25-15(12-26-8-10-29-11-9-26)16-6-1-2-7-27(16)19/h1-7H,8-12H2
InChIKeyZQYMYNTXESIPRE-UHFFFAOYSA-N
MW407.37 g/mol
LogP3.56
Rot. Bonds4

About [3-fluoro-2-(trifluoromethyl)phenyl]-[1-(morpholin-4-ylmethyl)imidazo[1,5-a]pyridin-3-yl]methanone

[3-fluoro-2-(trifluoromethyl)phenyl]-[1-(morpholin-4-ylmethyl)imidazo[1,5-a]pyridin-3-yl]methanone (PubChem CID 54585060) has the molecular formula C20H17F4N3O2 and a molecular weight of 407.37 g/mol. Its IUPAC name is [3-fluoro-2-(trifluoromethyl)phenyl]-[1-(morpholin-4-ylmethyl)imidazo[1,5-a]pyridin-3-yl]methanone.

Molecular Properties

Compound Name[3-fluoro-2-(trifluoromethyl)phenyl]-[1-(morpholin-4-ylmethyl)imidazo[1,5-a]pyridin-3-yl]methanone
PubChem CID54585060
Molecular FormulaC20H17F4N3O2
Molecular Weight407.37 g/mol
Exact Mass407.13
IUPAC Name[3-fluoro-2-(trifluoromethyl)phenyl]-[1-(morpholin-4-ylmethyl)imidazo[1,5-a]pyridin-3-yl]methanone
SMILESO=C(c1cccc(F)c1C(F)(F)F)c1nc(CN2CCOCC2)c2ccccn12
InChIInChI=1S/C20H17F4N3O2/c21-14-5-3-4-13(17(14)20(22,23)24)18(28)19-25-15(12-26-8-10-29-11-9-26)16-6-1-2-7-27(16)19/h1-7H,8-12H2
InChIKeyZQYMYNTXESIPRE-UHFFFAOYSA-N
XLogP3.56
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.37
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-Amino-6-(2,6-Difluoro-Benzoyl)-Imidazo(1,2-a)Pyridin-3-Yl)-Phenyl-Methanone
CID 5289179
Aminoimidazo[1,2-a]pyridine deriv. 14
CID 5330614
Aminoimidazo[1,2-a]pyridine deriv. 25
CID 5330625
1-[1-(Imidazo[1,2-A]pyridin-5-Yl)-7-(Morpholin-4-Yl)indolizin-3-Yl]ethanone
CID 127038798
4-[3-[(2R)-4-acetylmorpholin-2-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-3-fluoro-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 137633174
4-[8-amino-3-[(2R)-4-(2-methylpropanoyl)morpholin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-3-fluoro-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 137652514
(2,3-Dichlorophenyl)(1-(morpholinomethyl)imidazo[1,5-a]pyridin-3-yl)methanone
CID 46209990
[1-(5-fluoropyridin-2-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-[2-methyl-3-(trifluoromethyl)phenyl]methanone
CID 90409637
(6-Fluoro-1-methylbenzimidazol-2-yl)-[7-fluoro-1-(2-morpholin-4-ylethyl)indol-3-yl]methanone
CID 154626629
N-[4-methyl-3-(5-morpholin-4-ylimidazo[1,2-c]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 90442618
N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 90442619
N-[4-methyl-3-[8-[(3R)-3-methylmorpholin-4-yl]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 90442621

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-2-(trifluoromethyl)phenyl]-[1-(morpholin-4-ylmethyl)imidazo[1,5-a]pyridin-3-yl]methanone?
The IUPAC name of [3-fluoro-2-(trifluoromethyl)phenyl]-[1-(morpholin-4-ylmethyl)imidazo[1,5-a]pyridin-3-yl]methanone (CID 54585060) is [3-fluoro-2-(trifluoromethyl)phenyl]-[1-(morpholin-4-ylmethyl)imidazo[1,5-a]pyridin-3-yl]methanone.
What is the SMILES notation for [3-fluoro-2-(trifluoromethyl)phenyl]-[1-(morpholin-4-ylmethyl)imidazo[1,5-a]pyridin-3-yl]methanone?
The canonical SMILES for [3-fluoro-2-(trifluoromethyl)phenyl]-[1-(morpholin-4-ylmethyl)imidazo[1,5-a]pyridin-3-yl]methanone is O=C(c1cccc(F)c1C(F)(F)F)c1nc(CN2CCOCC2)c2ccccn12.
What is the InChIKey of [3-fluoro-2-(trifluoromethyl)phenyl]-[1-(morpholin-4-ylmethyl)imidazo[1,5-a]pyridin-3-yl]methanone?
The InChIKey is ZQYMYNTXESIPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F4N3O2/c21-14-5-3-4-13(17(14)20(22,23)24)18(28)19-25-15(12-26-8-10-29-11-9-26)16-6-1-2-7-27(16)19/h1-7H,8-12H2.
What are the key properties of [3-fluoro-2-(trifluoromethyl)phenyl]-[1-(morpholin-4-ylmethyl)imidazo[1,5-a]pyridin-3-yl]methanone?
[3-fluoro-2-(trifluoromethyl)phenyl]-[1-(morpholin-4-ylmethyl)imidazo[1,5-a]pyridin-3-yl]methanone has a molecular weight of 407.37 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-2-(trifluoromethyl)phenyl]-[1-(morpholin-4-ylmethyl)imidazo[1,5-a]pyridin-3-yl]methanone is sourced from PubChem (CID 54585060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).