4-[(4-fluorophenyl)methoxy]-1-[6-[(3R,4R)-3-hydroxy-4-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]pyridin-2-one

C22H23FN4O3 — CID 24965117

IUPAC4-[(4-fluorophenyl)methoxy]-1-[6-[(3R,4R)-3-hydroxy-4-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]pyridin-2-one
SMILESCN[C@@H]1CN(c2ccc(-n3ccc(OCc4ccc(F)cc4)cc3=O)cn2)C[C@H]1O
InChIInChI=1S/C22H23FN4O3/c1-24-19-12-26(13-20(19)28)21-7-6-17(11-25-21)27-9-8-18(10-22(27)29)30-14-15-2-4-16(23)5-3-15/h2-11,19-20,24,28H,12-14H2,1H3/t19-,20-/m1/s1
InChIKeyHSURSIFTWVKNCC-WOJBJXKFSA-N
MW410.45 g/mol
LogP1.72
Rot. Bonds6

About 4-[(4-fluorophenyl)methoxy]-1-[6-[(3R,4R)-3-hydroxy-4-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]pyridin-2-one

4-[(4-fluorophenyl)methoxy]-1-[6-[(3R,4R)-3-hydroxy-4-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]pyridin-2-one (PubChem CID 24965117) has the molecular formula C22H23FN4O3 and a molecular weight of 410.45 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methoxy]-1-[6-[(3R,4R)-3-hydroxy-4-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]pyridin-2-one.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methoxy]-1-[6-[(3R,4R)-3-hydroxy-4-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]pyridin-2-one
PubChem CID24965117
Molecular FormulaC22H23FN4O3
Molecular Weight410.45 g/mol
Exact Mass410.18
IUPAC Name4-[(4-fluorophenyl)methoxy]-1-[6-[(3R,4R)-3-hydroxy-4-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]pyridin-2-one
SMILESCN[C@@H]1CN(c2ccc(-n3ccc(OCc4ccc(F)cc4)cc3=O)cn2)C[C@H]1O
InChIInChI=1S/C22H23FN4O3/c1-24-19-12-26(13-20(19)28)21-7-6-17(11-25-21)27-9-8-18(10-22(27)29)30-14-15-2-4-16(23)5-3-15/h2-11,19-20,24,28H,12-14H2,1H3/t19-,20-/m1/s1
InChIKeyHSURSIFTWVKNCC-WOJBJXKFSA-N
XLogP1.72
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

tert-butyl 2-[5-[4-[(4-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]-2-pyridinyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate
CID 24965121
1-[6-[3-(methylamino)piperidin-1-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one
CID 24968671
1-[6-[(3aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one
CID 71104059
1-[6-[(3aS,6aR)-2-ethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one
CID 59704425
4-[(4-fluorophenyl)methoxy]-1-(4-hydroxyphenyl)pyridin-2-one
CID 67456822
1-[6-[(3S)-3-aminopyrrolidin-1-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one
CID 24963342
1-[6-[(3S)-3-methoxypyrrolidin-1-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one
CID 24968323
tert-butyl 2-[5-(2-oxo-4-phenylmethoxy-1-pyridinyl)-2-pyridinyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate
CID 24966880
1-[6-[(3S)-3-[methyl(propan-2-yl)amino]pyrrolidin-1-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one
CID 24964039
2-methoxy-2-methylpropane;1-[5-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-pyridinyl]-4-phenylmethoxypyridin-2-one;hydrate
CID 143653290
1-[6-[3-(2-methylpropyl)piperazin-1-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one
CID 24964400
1-[6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one
CID 59704509

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methoxy]-1-[6-[(3R,4R)-3-hydroxy-4-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]pyridin-2-one?
The IUPAC name of 4-[(4-fluorophenyl)methoxy]-1-[6-[(3R,4R)-3-hydroxy-4-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]pyridin-2-one (CID 24965117) is 4-[(4-fluorophenyl)methoxy]-1-[6-[(3R,4R)-3-hydroxy-4-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]pyridin-2-one.
What is the SMILES notation for 4-[(4-fluorophenyl)methoxy]-1-[6-[(3R,4R)-3-hydroxy-4-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]pyridin-2-one?
The canonical SMILES for 4-[(4-fluorophenyl)methoxy]-1-[6-[(3R,4R)-3-hydroxy-4-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]pyridin-2-one is CN[C@@H]1CN(c2ccc(-n3ccc(OCc4ccc(F)cc4)cc3=O)cn2)C[C@H]1O.
What is the InChIKey of 4-[(4-fluorophenyl)methoxy]-1-[6-[(3R,4R)-3-hydroxy-4-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]pyridin-2-one?
The InChIKey is HSURSIFTWVKNCC-WOJBJXKFSA-N. The full InChI is InChI=1S/C22H23FN4O3/c1-24-19-12-26(13-20(19)28)21-7-6-17(11-25-21)27-9-8-18(10-22(27)29)30-14-15-2-4-16(23)5-3-15/h2-11,19-20,24,28H,12-14H2,1H3/t19-,20-/m1/s1.
What are the key properties of 4-[(4-fluorophenyl)methoxy]-1-[6-[(3R,4R)-3-hydroxy-4-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]pyridin-2-one?
4-[(4-fluorophenyl)methoxy]-1-[6-[(3R,4R)-3-hydroxy-4-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]pyridin-2-one has a molecular weight of 410.45 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methoxy]-1-[6-[(3R,4R)-3-hydroxy-4-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]pyridin-2-one is sourced from PubChem (CID 24965117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).