[4-[6-amino-5-[6-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]phenyl]-morpholin-4-ylmethanone

C22H19F3N4O2 — CID 71457442

IUPAC[4-[6-amino-5-[6-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]phenyl]-morpholin-4-ylmethanone
SMILESNc1ncc(-c2ccc(C(=O)N3CCOCC3)cc2)cc1-c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C22H19F3N4O2/c23-22(24,25)19-6-5-16(12-27-19)18-11-17(13-28-20(18)26)14-1-3-15(4-2-14)21(30)29-7-9-31-10-8-29/h1-6,11-13H,7-10H2,(H2,26,28)
InChIKeyHBUVPJCWKMCZHV-UHFFFAOYSA-N
MW428.41 g/mol
LogP3.88
Rot. Bonds3

About [4-[6-amino-5-[6-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]phenyl]-morpholin-4-ylmethanone

[4-[6-amino-5-[6-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]phenyl]-morpholin-4-ylmethanone (PubChem CID 71457442) has the molecular formula C22H19F3N4O2 and a molecular weight of 428.41 g/mol. Its IUPAC name is [4-[6-amino-5-[6-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[6-amino-5-[6-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]phenyl]-morpholin-4-ylmethanone
PubChem CID71457442
Molecular FormulaC22H19F3N4O2
Molecular Weight428.41 g/mol
Exact Mass428.15
IUPAC Name[4-[6-amino-5-[6-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]phenyl]-morpholin-4-ylmethanone
SMILESNc1ncc(-c2ccc(C(=O)N3CCOCC3)cc2)cc1-c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C22H19F3N4O2/c23-22(24,25)19-6-5-16(12-27-19)18-11-17(13-28-20(18)26)14-1-3-15(4-2-14)21(30)29-7-9-31-10-8-29/h1-6,11-13H,7-10H2,(H2,26,28)
InChIKeyHBUVPJCWKMCZHV-UHFFFAOYSA-N
XLogP3.88
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.41
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[6-Amino-5-[4-(trifluoromethyl)phenyl]-3-pyridyl]phenyl]-morpholino-methanone
CID 53311133
Pyrrolo-pyrimidone, 15
CID 135524110
6-[2-[(E)-2-[4-(morpholin-4-ylmethyl)phenyl]ethenyl]pyridin-4-yl]-1,7-dihydropyrrolo[3,2-e]pyrimidin-4-one
CID 135524168
2''-Phenylamino-6-piperazin-1-yl[2,4'']bipyridinyl-4-carboxylic Acid Methyl Amide
CID 46901384
6-Piperazin-1-yl-2'-(tetrahydropyran-4-ylamino)-[2,4']bipyridinyl-4-carboxylic acid amide
CID 46901385
[4-[5-Amino-6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone
CID 71711915
N-[4-methyl-3-(2-morpholin-4-ylpyridin-4-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 86296699
2-(1,1-difluoroethyl)-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-ylpyridin-4-yl]-6-methylpyridin-3-yl]pyridine-4-carboxamide
CID 117610115
2-(2,6-Difluorophenyl)-4-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 118341389
N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 132067922
Pyrrolo-pyrimidone, 6
CID 135524116
[4-[6-Amino-5-[4-(trifluoromethyl)phenyl]-3-pyridyl]phenyl]-piperazin-1-yl-methanone
CID 71450257

Frequently Asked Questions

What is the IUPAC name of [4-[6-amino-5-[6-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[6-amino-5-[6-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]phenyl]-morpholin-4-ylmethanone (CID 71457442) is [4-[6-amino-5-[6-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[6-amino-5-[6-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[6-amino-5-[6-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]phenyl]-morpholin-4-ylmethanone is Nc1ncc(-c2ccc(C(=O)N3CCOCC3)cc2)cc1-c1ccc(C(F)(F)F)nc1.
What is the InChIKey of [4-[6-amino-5-[6-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]phenyl]-morpholin-4-ylmethanone?
The InChIKey is HBUVPJCWKMCZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N4O2/c23-22(24,25)19-6-5-16(12-27-19)18-11-17(13-28-20(18)26)14-1-3-15(4-2-14)21(30)29-7-9-31-10-8-29/h1-6,11-13H,7-10H2,(H2,26,28).
What are the key properties of [4-[6-amino-5-[6-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]phenyl]-morpholin-4-ylmethanone?
[4-[6-amino-5-[6-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]phenyl]-morpholin-4-ylmethanone has a molecular weight of 428.41 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-amino-5-[6-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 71457442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).