4-[(5-fluoro-2-pyridinyl)methoxy]-1-[2-[4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-2-methylphenyl]-2-oxoethyl]pyridin-2-one

C25H26FN3O4 — CID 91759551

IUPAC4-[(5-fluoro-2-pyridinyl)methoxy]-1-[2-[4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-2-methylphenyl]-2-oxoethyl]pyridin-2-one
SMILESCc1cc(CN2CC[C@H](O)C2)ccc1C(=O)Cn1ccc(OCc2ccc(F)cn2)cc1=O
InChIInChI=1S/C25H26FN3O4/c1-17-10-18(13-28-8-6-21(30)14-28)2-5-23(17)24(31)15-29-9-7-22(11-25(29)32)33-16-20-4-3-19(26)12-27-20/h2-5,7,9-12,21,30H,6,8,13-16H2,1H3/t21-/m0/s1
InChIKeyZHDNOAKHFCWVBP-NRFANRHFSA-N
MW451.50 g/mol
LogP2.72
Rot. Bonds8

About 4-[(5-fluoro-2-pyridinyl)methoxy]-1-[2-[4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-2-methylphenyl]-2-oxoethyl]pyridin-2-one

4-[(5-fluoro-2-pyridinyl)methoxy]-1-[2-[4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-2-methylphenyl]-2-oxoethyl]pyridin-2-one (PubChem CID 91759551) has the molecular formula C25H26FN3O4 and a molecular weight of 451.50 g/mol. Its IUPAC name is 4-[(5-fluoro-2-pyridinyl)methoxy]-1-[2-[4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-2-methylphenyl]-2-oxoethyl]pyridin-2-one.

Molecular Properties

Compound Name4-[(5-fluoro-2-pyridinyl)methoxy]-1-[2-[4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-2-methylphenyl]-2-oxoethyl]pyridin-2-one
PubChem CID91759551
Molecular FormulaC25H26FN3O4
Molecular Weight451.50 g/mol
Exact Mass451.19
IUPAC Name4-[(5-fluoro-2-pyridinyl)methoxy]-1-[2-[4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-2-methylphenyl]-2-oxoethyl]pyridin-2-one
SMILESCc1cc(CN2CC[C@H](O)C2)ccc1C(=O)Cn1ccc(OCc2ccc(F)cn2)cc1=O
InChIInChI=1S/C25H26FN3O4/c1-17-10-18(13-28-8-6-21(30)14-28)2-5-23(17)24(31)15-29-9-7-22(11-25(29)32)33-16-20-4-3-19(26)12-27-20/h2-5,7,9-12,21,30H,6,8,13-16H2,1H3/t21-/m0/s1
InChIKeyZHDNOAKHFCWVBP-NRFANRHFSA-N
XLogP2.72
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.50
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-fluoro-2-pyridinyl)methoxy]-1-[2-[4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-2-methylphenyl]-2-oxoethyl]pyridin-2-one?
The IUPAC name of 4-[(5-fluoro-2-pyridinyl)methoxy]-1-[2-[4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-2-methylphenyl]-2-oxoethyl]pyridin-2-one (CID 91759551) is 4-[(5-fluoro-2-pyridinyl)methoxy]-1-[2-[4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-2-methylphenyl]-2-oxoethyl]pyridin-2-one.
What is the SMILES notation for 4-[(5-fluoro-2-pyridinyl)methoxy]-1-[2-[4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-2-methylphenyl]-2-oxoethyl]pyridin-2-one?
The canonical SMILES for 4-[(5-fluoro-2-pyridinyl)methoxy]-1-[2-[4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-2-methylphenyl]-2-oxoethyl]pyridin-2-one is Cc1cc(CN2CC[C@H](O)C2)ccc1C(=O)Cn1ccc(OCc2ccc(F)cn2)cc1=O.
What is the InChIKey of 4-[(5-fluoro-2-pyridinyl)methoxy]-1-[2-[4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-2-methylphenyl]-2-oxoethyl]pyridin-2-one?
The InChIKey is ZHDNOAKHFCWVBP-NRFANRHFSA-N. The full InChI is InChI=1S/C25H26FN3O4/c1-17-10-18(13-28-8-6-21(30)14-28)2-5-23(17)24(31)15-29-9-7-22(11-25(29)32)33-16-20-4-3-19(26)12-27-20/h2-5,7,9-12,21,30H,6,8,13-16H2,1H3/t21-/m0/s1.
What are the key properties of 4-[(5-fluoro-2-pyridinyl)methoxy]-1-[2-[4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-2-methylphenyl]-2-oxoethyl]pyridin-2-one?
4-[(5-fluoro-2-pyridinyl)methoxy]-1-[2-[4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-2-methylphenyl]-2-oxoethyl]pyridin-2-one has a molecular weight of 451.50 g/mol, XLogP of 2.72, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-fluoro-2-pyridinyl)methoxy]-1-[2-[4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-2-methylphenyl]-2-oxoethyl]pyridin-2-one is sourced from PubChem (CID 91759551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).