1-[2-[2-[(2R)-2-[5-[(5-fluoro-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]-2-oxoethoxy]ethyl]pyrrolidin-2-one

C22H26FN5O4 — CID 125007066

IUPAC1-[2-[2-[(2R)-2-[5-[(5-fluoro-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]-2-oxoethoxy]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCOCC(=O)N1CCO[C@@H](c2ccc(Nc3ccc(F)cn3)cn2)C1
InChIInChI=1S/C22H26FN5O4/c23-16-3-6-20(25-12-16)26-17-4-5-18(24-13-17)19-14-28(9-11-32-19)22(30)15-31-10-8-27-7-1-2-21(27)29/h3-6,12-13,19H,1-2,7-11,14-15H2,(H,25,26)/t19-/m1/s1
InChIKeyUKROVFQYRAXPBA-LJQANCHMSA-N
MW443.48 g/mol
LogP1.90
Rot. Bonds8

About 1-[2-[2-[(2R)-2-[5-[(5-fluoro-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]-2-oxoethoxy]ethyl]pyrrolidin-2-one

1-[2-[2-[(2R)-2-[5-[(5-fluoro-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]-2-oxoethoxy]ethyl]pyrrolidin-2-one (PubChem CID 125007066) has the molecular formula C22H26FN5O4 and a molecular weight of 443.48 g/mol. Its IUPAC name is 1-[2-[2-[(2R)-2-[5-[(5-fluoro-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]-2-oxoethoxy]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[2-[(2R)-2-[5-[(5-fluoro-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]-2-oxoethoxy]ethyl]pyrrolidin-2-one
PubChem CID125007066
Molecular FormulaC22H26FN5O4
Molecular Weight443.48 g/mol
Exact Mass443.20
IUPAC Name1-[2-[2-[(2R)-2-[5-[(5-fluoro-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]-2-oxoethoxy]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCOCC(=O)N1CCO[C@@H](c2ccc(Nc3ccc(F)cn3)cn2)C1
InChIInChI=1S/C22H26FN5O4/c23-16-3-6-20(25-12-16)26-17-4-5-18(24-13-17)19-14-28(9-11-32-19)22(30)15-31-10-8-27-7-1-2-21(27)29/h3-6,12-13,19H,1-2,7-11,14-15H2,(H,25,26)/t19-/m1/s1
InChIKeyUKROVFQYRAXPBA-LJQANCHMSA-N
XLogP1.90
TPSA96.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.48
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[2-[5-[(5-fluoro-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]-pyrazin-2-ylmethanone
CID 127249072
1-[2-[2-[(3R)-3-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]piperidin-1-yl]-2-oxoethoxy]ethyl]pyrrolidin-2-one
CID 92615927
1-[3-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropyl]azepan-2-one
CID 95222110
2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[(2R)-2-[6-[(5-fluoro-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]ethanone
CID 124973044
3-(4-methoxyphenyl)-1-[(2S)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one
CID 124961728
2-(2-fluorophenoxy)-1-[(2R)-2-(5-methyl-2-pyridinyl)morpholin-4-yl]ethanone
CID 124977367
1-[2-[2-[(3R)-3-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethoxy]ethyl]pyrrolidin-2-one
CID 95834632
N-(5-fluoro-2-pyridinyl)-6-[4-[(1-propylbenzimidazol-2-yl)methyl]morpholin-2-yl]pyridin-3-amine
CID 127249117
1-[2-[2-[3-(5-amino-1-phenylpyrazole-4-carbonyl)pyrrolidin-1-yl]-2-oxoethoxy]ethyl]pyrrolidin-2-one
CID 110239748
1-[2-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one
CID 45215299
1-[4-[(2R)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]morpholine-4-carbonyl]piperidin-1-yl]ethanone
CID 124976016
1-[2-[2-[2-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-2-oxoethoxy]ethyl]pyrrolidin-2-one
CID 110239856

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[(2R)-2-[5-[(5-fluoro-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]-2-oxoethoxy]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[2-[(2R)-2-[5-[(5-fluoro-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]-2-oxoethoxy]ethyl]pyrrolidin-2-one (CID 125007066) is 1-[2-[2-[(2R)-2-[5-[(5-fluoro-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]-2-oxoethoxy]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[2-[(2R)-2-[5-[(5-fluoro-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]-2-oxoethoxy]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[2-[(2R)-2-[5-[(5-fluoro-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]-2-oxoethoxy]ethyl]pyrrolidin-2-one is O=C1CCCN1CCOCC(=O)N1CCO[C@@H](c2ccc(Nc3ccc(F)cn3)cn2)C1.
What is the InChIKey of 1-[2-[2-[(2R)-2-[5-[(5-fluoro-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]-2-oxoethoxy]ethyl]pyrrolidin-2-one?
The InChIKey is UKROVFQYRAXPBA-LJQANCHMSA-N. The full InChI is InChI=1S/C22H26FN5O4/c23-16-3-6-20(25-12-16)26-17-4-5-18(24-13-17)19-14-28(9-11-32-19)22(30)15-31-10-8-27-7-1-2-21(27)29/h3-6,12-13,19H,1-2,7-11,14-15H2,(H,25,26)/t19-/m1/s1.
What are the key properties of 1-[2-[2-[(2R)-2-[5-[(5-fluoro-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]-2-oxoethoxy]ethyl]pyrrolidin-2-one?
1-[2-[2-[(2R)-2-[5-[(5-fluoro-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]-2-oxoethoxy]ethyl]pyrrolidin-2-one has a molecular weight of 443.48 g/mol, XLogP of 1.90, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[(2R)-2-[5-[(5-fluoro-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]-2-oxoethoxy]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 125007066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).