[2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)morpholin-4-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone

C22H23F3N2O3 — CID 46100177

IUPAC[2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)morpholin-4-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)nc1)N1CCOC(COc2ccc3c(c2)CCCC3)C1
InChIInChI=1S/C22H23F3N2O3/c23-22(24,25)20-8-6-17(12-26-20)21(28)27-9-10-29-19(13-27)14-30-18-7-5-15-3-1-2-4-16(15)11-18/h5-8,11-12,19H,1-4,9-10,13-14H2
InChIKeyIIWVMQBPHAAZDK-UHFFFAOYSA-N
MW420.43 g/mol
LogP3.90
Rot. Bonds4

About [2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)morpholin-4-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone

[2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)morpholin-4-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone (PubChem CID 46100177) has the molecular formula C22H23F3N2O3 and a molecular weight of 420.43 g/mol. Its IUPAC name is [2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)morpholin-4-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)morpholin-4-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
PubChem CID46100177
Molecular FormulaC22H23F3N2O3
Molecular Weight420.43 g/mol
Exact Mass420.17
IUPAC Name[2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)morpholin-4-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)nc1)N1CCOC(COc2ccc3c(c2)CCCC3)C1
InChIInChI=1S/C22H23F3N2O3/c23-22(24,25)20-8-6-17(12-26-20)21(28)27-9-10-29-19(13-27)14-30-18-7-5-15-3-1-2-4-16(15)11-18/h5-8,11-12,19H,1-4,9-10,13-14H2
InChIKeyIIWVMQBPHAAZDK-UHFFFAOYSA-N
XLogP3.90
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.43
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Tirbanibulin
CID 23635314
6-(3-methoxyphenyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 59743926
N-[(3-fluorophenyl)methyl]-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide
CID 11496101
6-(2-Benzyl-1,2,3,4-tetrahydroisoquinolin-6-yloxy)nicotinamide
CID 44434062
6-(2-Phenethyl-1,2,3,4-tetrahydroisoquinolin-6-yloxy)nicotinamide
CID 44434063
6-(2-(3-Phenylpropyl)-1,2,3,4-tetrahydroisoquinolin-6-yloxy)nicotinamide
CID 44434064
6-(2-(3-morpholinopropyl)-2,3,4,5-tetrahydro-1H-benzo[c]azepin-7-yloxy)nicotinamide
CID 44434089
N-[(3S)-5-pyridin-4-yl-3,4-dihydro-2H-chromen-3-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 66813557
N-[(3S)-5-pyridin-3-yl-3,4-dihydro-2H-chromen-3-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 66813859
2-((3-fluorophenoxy)methyl)-6-(4-fluorophenyl)-7,8-dihydro-1,6-naphthyridin-5(6H)-one
CID 68008456
2-(Naphthalen-2-yloxy)-1-[4-(pyridine-3-carbonyl)-piperazin-1-yl]-ethanone
CID 1147953
(6-methoxy-2-naphthyl){1-[(2E)-3-(2-pyridinyl)-2-propenoyl]-3-piperidinyl}methanone
CID 16189178

Frequently Asked Questions

What is the IUPAC name of [2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)morpholin-4-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The IUPAC name of [2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)morpholin-4-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone (CID 46100177) is [2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)morpholin-4-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone.
What is the SMILES notation for [2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)morpholin-4-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The canonical SMILES for [2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)morpholin-4-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone is O=C(c1ccc(C(F)(F)F)nc1)N1CCOC(COc2ccc3c(c2)CCCC3)C1.
What is the InChIKey of [2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)morpholin-4-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The InChIKey is IIWVMQBPHAAZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N2O3/c23-22(24,25)20-8-6-17(12-26-20)21(28)27-9-10-29-19(13-27)14-30-18-7-5-15-3-1-2-4-16(15)11-18/h5-8,11-12,19H,1-4,9-10,13-14H2.
What are the key properties of [2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)morpholin-4-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
[2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)morpholin-4-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone has a molecular weight of 420.43 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)morpholin-4-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone is sourced from PubChem (CID 46100177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).