6-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]-4-(2-methylpyrimidin-5-yl)-2,3-dihydroisoindol-1-one

C24H25N5O2 — CID 164612865

IUPAC6-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]-4-(2-methylpyrimidin-5-yl)-2,3-dihydroisoindol-1-one
SMILESCc1ncc(-c2cc(-c3ccnc(N4C[C@@H](C)O[C@@H](C)C4)c3)cc3c2CNC3=O)cn1
InChIInChI=1S/C24H25N5O2/c1-14-12-29(13-15(2)31-14)23-8-17(4-5-25-23)18-6-20(19-9-26-16(3)27-10-19)22-11-28-24(30)21(22)7-18/h4-10,14-15H,11-13H2,1-3H3,(H,28,30)/t14-,15+
InChIKeyYQSXBMNQDSXKCC-GASCZTMLSA-N
MW415.50 g/mol
LogP3.37
Rot. Bonds3

About 6-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]-4-(2-methylpyrimidin-5-yl)-2,3-dihydroisoindol-1-one

6-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]-4-(2-methylpyrimidin-5-yl)-2,3-dihydroisoindol-1-one (PubChem CID 164612865) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 6-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]-4-(2-methylpyrimidin-5-yl)-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name6-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]-4-(2-methylpyrimidin-5-yl)-2,3-dihydroisoindol-1-one
PubChem CID164612865
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name6-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]-4-(2-methylpyrimidin-5-yl)-2,3-dihydroisoindol-1-one
SMILESCc1ncc(-c2cc(-c3ccnc(N4C[C@@H](C)O[C@@H](C)C4)c3)cc3c2CNC3=O)cn1
InChIInChI=1S/C24H25N5O2/c1-14-12-29(13-15(2)31-14)23-8-17(4-5-25-23)18-6-20(19-9-26-16(3)27-10-19)22-11-28-24(30)21(22)7-18/h4-10,14-15H,11-13H2,1-3H3,(H,28,30)/t14-,15+
InChIKeyYQSXBMNQDSXKCC-GASCZTMLSA-N
XLogP3.37
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]-4-(2-methylpyrimidin-5-yl)-2,3-dihydroisoindol-1-one?
The IUPAC name of 6-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]-4-(2-methylpyrimidin-5-yl)-2,3-dihydroisoindol-1-one (CID 164612865) is 6-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]-4-(2-methylpyrimidin-5-yl)-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 6-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]-4-(2-methylpyrimidin-5-yl)-2,3-dihydroisoindol-1-one?
The canonical SMILES for 6-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]-4-(2-methylpyrimidin-5-yl)-2,3-dihydroisoindol-1-one is Cc1ncc(-c2cc(-c3ccnc(N4C[C@@H](C)O[C@@H](C)C4)c3)cc3c2CNC3=O)cn1.
What is the InChIKey of 6-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]-4-(2-methylpyrimidin-5-yl)-2,3-dihydroisoindol-1-one?
The InChIKey is YQSXBMNQDSXKCC-GASCZTMLSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-14-12-29(13-15(2)31-14)23-8-17(4-5-25-23)18-6-20(19-9-26-16(3)27-10-19)22-11-28-24(30)21(22)7-18/h4-10,14-15H,11-13H2,1-3H3,(H,28,30)/t14-,15+.
What are the key properties of 6-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]-4-(2-methylpyrimidin-5-yl)-2,3-dihydroisoindol-1-one?
6-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]-4-(2-methylpyrimidin-5-yl)-2,3-dihydroisoindol-1-one has a molecular weight of 415.50 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]-4-(2-methylpyrimidin-5-yl)-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 164612865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).