[(2S)-2-[6-(2,6-difluorophenyl)-2-pyridinyl]morpholin-4-yl]-isoquinolin-1-ylmethanone

C25H19F2N3O2 — CID 124958836

IUPAC[(2S)-2-[6-(2,6-difluorophenyl)-2-pyridinyl]morpholin-4-yl]-isoquinolin-1-ylmethanone
SMILESO=C(c1nccc2ccccc12)N1CCO[C@H](c2cccc(-c3c(F)cccc3F)n2)C1
InChIInChI=1S/C25H19F2N3O2/c26-18-7-3-8-19(27)23(18)21-10-4-9-20(29-21)22-15-30(13-14-32-22)25(31)24-17-6-2-1-5-16(17)11-12-28-24/h1-12,22H,13-15H2/t22-/m0/s1
InChIKeyGIWJOSVTVBEIJT-QFIPXVFZSA-N
MW431.44 g/mol
LogP4.79
Rot. Bonds3

About [(2S)-2-[6-(2,6-difluorophenyl)-2-pyridinyl]morpholin-4-yl]-isoquinolin-1-ylmethanone

[(2S)-2-[6-(2,6-difluorophenyl)-2-pyridinyl]morpholin-4-yl]-isoquinolin-1-ylmethanone (PubChem CID 124958836) has the molecular formula C25H19F2N3O2 and a molecular weight of 431.44 g/mol. Its IUPAC name is [(2S)-2-[6-(2,6-difluorophenyl)-2-pyridinyl]morpholin-4-yl]-isoquinolin-1-ylmethanone.

Molecular Properties

Compound Name[(2S)-2-[6-(2,6-difluorophenyl)-2-pyridinyl]morpholin-4-yl]-isoquinolin-1-ylmethanone
PubChem CID124958836
Molecular FormulaC25H19F2N3O2
Molecular Weight431.44 g/mol
Exact Mass431.14
IUPAC Name[(2S)-2-[6-(2,6-difluorophenyl)-2-pyridinyl]morpholin-4-yl]-isoquinolin-1-ylmethanone
SMILESO=C(c1nccc2ccccc12)N1CCO[C@H](c2cccc(-c3c(F)cccc3F)n2)C1
InChIInChI=1S/C25H19F2N3O2/c26-18-7-3-8-19(27)23(18)21-10-4-9-20(29-21)22-15-30(13-14-32-22)25(31)24-17-6-2-1-5-16(17)11-12-28-24/h1-12,22H,13-15H2/t22-/m0/s1
InChIKeyGIWJOSVTVBEIJT-QFIPXVFZSA-N
XLogP4.79
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.44
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[6-(2,6-difluorophenyl)-2-pyridinyl]morpholin-4-yl]-isoquinolin-1-ylmethanone
CID 127250494
[(2R)-2-[6-(2,6-difluorophenyl)-2-pyridinyl]morpholin-4-yl]-phenylmethanone
CID 124949019
isoquinolin-1-yl-[(2R)-2-pyridin-4-ylmorpholin-4-yl]methanone
CID 124957778
[(3R)-3-(2,6-difluorophenyl)pyrrolidin-1-yl]-isoquinolin-1-ylmethanone
CID 164633243
isoquinolin-1-yl-[(2R)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129473192
[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-isoquinolin-1-ylmethanone
CID 129329703
(3,4-dihydroxypyrrolidin-1-yl)-isoquinolin-1-ylmethanone
CID 106671738
(3-methyl-2-pyridinyl)-[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone
CID 124956752
[(2R)-2-[6-[(2,6-difluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-phenylmethanone
CID 124990500
(7-fluoro-1H-indol-2-yl)-[2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone
CID 110115830
(2,6-difluorophenyl)-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methanone
CID 124986914
[(3S)-3-hydroxypiperidin-1-yl]-isoquinolin-1-ylmethanone
CID 107224794

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[6-(2,6-difluorophenyl)-2-pyridinyl]morpholin-4-yl]-isoquinolin-1-ylmethanone?
The IUPAC name of [(2S)-2-[6-(2,6-difluorophenyl)-2-pyridinyl]morpholin-4-yl]-isoquinolin-1-ylmethanone (CID 124958836) is [(2S)-2-[6-(2,6-difluorophenyl)-2-pyridinyl]morpholin-4-yl]-isoquinolin-1-ylmethanone.
What is the SMILES notation for [(2S)-2-[6-(2,6-difluorophenyl)-2-pyridinyl]morpholin-4-yl]-isoquinolin-1-ylmethanone?
The canonical SMILES for [(2S)-2-[6-(2,6-difluorophenyl)-2-pyridinyl]morpholin-4-yl]-isoquinolin-1-ylmethanone is O=C(c1nccc2ccccc12)N1CCO[C@H](c2cccc(-c3c(F)cccc3F)n2)C1.
What is the InChIKey of [(2S)-2-[6-(2,6-difluorophenyl)-2-pyridinyl]morpholin-4-yl]-isoquinolin-1-ylmethanone?
The InChIKey is GIWJOSVTVBEIJT-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H19F2N3O2/c26-18-7-3-8-19(27)23(18)21-10-4-9-20(29-21)22-15-30(13-14-32-22)25(31)24-17-6-2-1-5-16(17)11-12-28-24/h1-12,22H,13-15H2/t22-/m0/s1.
What are the key properties of [(2S)-2-[6-(2,6-difluorophenyl)-2-pyridinyl]morpholin-4-yl]-isoquinolin-1-ylmethanone?
[(2S)-2-[6-(2,6-difluorophenyl)-2-pyridinyl]morpholin-4-yl]-isoquinolin-1-ylmethanone has a molecular weight of 431.44 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[6-(2,6-difluorophenyl)-2-pyridinyl]morpholin-4-yl]-isoquinolin-1-ylmethanone is sourced from PubChem (CID 124958836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).