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

C20H18F3N3O2 — CID 57436233

IUPAC[1-(morpholin-4-ylmethyl)imidazo[1,5-a]pyridin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1)c1nc(CN2CCOCC2)c2ccccn12
InChIInChI=1S/C20H18F3N3O2/c21-20(22,23)15-5-3-4-14(12-15)18(27)19-24-16(13-25-8-10-28-11-9-25)17-6-1-2-7-26(17)19/h1-7,12H,8-11,13H2
InChIKeyDINLASADHGEYIM-UHFFFAOYSA-N
MW389.38 g/mol
LogP3.42
Rot. Bonds4

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

[1-(morpholin-4-ylmethyl)imidazo[1,5-a]pyridin-3-yl]-[3-(trifluoromethyl)phenyl]methanone (PubChem CID 57436233) has the molecular formula C20H18F3N3O2 and a molecular weight of 389.38 g/mol. Its IUPAC name is [1-(morpholin-4-ylmethyl)imidazo[1,5-a]pyridin-3-yl]-[3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[1-(morpholin-4-ylmethyl)imidazo[1,5-a]pyridin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
PubChem CID57436233
Molecular FormulaC20H18F3N3O2
Molecular Weight389.38 g/mol
Exact Mass389.14
IUPAC Name[1-(morpholin-4-ylmethyl)imidazo[1,5-a]pyridin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1)c1nc(CN2CCOCC2)c2ccccn12
InChIInChI=1S/C20H18F3N3O2/c21-20(22,23)15-5-3-4-14(12-15)18(27)19-24-16(13-25-8-10-28-11-9-25)17-6-1-2-7-26(17)19/h1-7,12H,8-11,13H2
InChIKeyDINLASADHGEYIM-UHFFFAOYSA-N
XLogP3.42
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.38
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(morpholin-4-ylmethyl)imidazo[1,5-a]pyridin-3-yl]-[3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [1-(morpholin-4-ylmethyl)imidazo[1,5-a]pyridin-3-yl]-[3-(trifluoromethyl)phenyl]methanone (CID 57436233) is [1-(morpholin-4-ylmethyl)imidazo[1,5-a]pyridin-3-yl]-[3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [1-(morpholin-4-ylmethyl)imidazo[1,5-a]pyridin-3-yl]-[3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [1-(morpholin-4-ylmethyl)imidazo[1,5-a]pyridin-3-yl]-[3-(trifluoromethyl)phenyl]methanone is O=C(c1cccc(C(F)(F)F)c1)c1nc(CN2CCOCC2)c2ccccn12.
What is the InChIKey of [1-(morpholin-4-ylmethyl)imidazo[1,5-a]pyridin-3-yl]-[3-(trifluoromethyl)phenyl]methanone?
The InChIKey is DINLASADHGEYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O2/c21-20(22,23)15-5-3-4-14(12-15)18(27)19-24-16(13-25-8-10-28-11-9-25)17-6-1-2-7-26(17)19/h1-7,12H,8-11,13H2.
What are the key properties of [1-(morpholin-4-ylmethyl)imidazo[1,5-a]pyridin-3-yl]-[3-(trifluoromethyl)phenyl]methanone?
[1-(morpholin-4-ylmethyl)imidazo[1,5-a]pyridin-3-yl]-[3-(trifluoromethyl)phenyl]methanone has a molecular weight of 389.38 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(morpholin-4-ylmethyl)imidazo[1,5-a]pyridin-3-yl]-[3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 57436233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).