(5R)-3-[3-fluoro-4-[6-[hydroxy(piperidin-4-yl)methyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one

C23H25FN6O3 — CID 23624706

IUPAC(5R)-3-[3-fluoro-4-[6-[hydroxy(piperidin-4-yl)methyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESO=C1O[C@@H](Cn2ccnn2)CN1c1ccc(-c2ccc(C(O)C3CCNCC3)nc2)c(F)c1
InChIInChI=1S/C23H25FN6O3/c24-20-11-17(30-14-18(33-23(30)32)13-29-10-9-27-28-29)2-3-19(20)16-1-4-21(26-12-16)22(31)15-5-7-25-8-6-15/h1-4,9-12,15,18,22,25,31H,5-8,13-14H2/t18-,22?/m0/s1
InChIKeyMFFIWZRWROSJGF-HXBUSHRASA-N
MW452.49 g/mol
LogP2.54
Rot. Bonds6

About (5R)-3-[3-fluoro-4-[6-[hydroxy(piperidin-4-yl)methyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one

(5R)-3-[3-fluoro-4-[6-[hydroxy(piperidin-4-yl)methyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (PubChem CID 23624706) has the molecular formula C23H25FN6O3 and a molecular weight of 452.49 g/mol. Its IUPAC name is (5R)-3-[3-fluoro-4-[6-[hydroxy(piperidin-4-yl)methyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-[3-fluoro-4-[6-[hydroxy(piperidin-4-yl)methyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
PubChem CID23624706
Molecular FormulaC23H25FN6O3
Molecular Weight452.49 g/mol
Exact Mass452.20
IUPAC Name(5R)-3-[3-fluoro-4-[6-[hydroxy(piperidin-4-yl)methyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESO=C1O[C@@H](Cn2ccnn2)CN1c1ccc(-c2ccc(C(O)C3CCNCC3)nc2)c(F)c1
InChIInChI=1S/C23H25FN6O3/c24-20-11-17(30-14-18(33-23(30)32)13-29-10-9-27-28-29)2-3-19(20)16-1-4-21(26-12-16)22(31)15-5-7-25-8-6-15/h1-4,9-12,15,18,22,25,31H,5-8,13-14H2/t18-,22?/m0/s1
InChIKeyMFFIWZRWROSJGF-HXBUSHRASA-N
XLogP2.54
TPSA105.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.49
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-[3-fluoro-4-[6-[hydroxy(piperidin-4-yl)methyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-[3-fluoro-4-[6-[hydroxy(piperidin-4-yl)methyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (CID 23624706) is (5R)-3-[3-fluoro-4-[6-[hydroxy(piperidin-4-yl)methyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-[3-fluoro-4-[6-[hydroxy(piperidin-4-yl)methyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-[3-fluoro-4-[6-[hydroxy(piperidin-4-yl)methyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is O=C1O[C@@H](Cn2ccnn2)CN1c1ccc(-c2ccc(C(O)C3CCNCC3)nc2)c(F)c1.
What is the InChIKey of (5R)-3-[3-fluoro-4-[6-[hydroxy(piperidin-4-yl)methyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The InChIKey is MFFIWZRWROSJGF-HXBUSHRASA-N. The full InChI is InChI=1S/C23H25FN6O3/c24-20-11-17(30-14-18(33-23(30)32)13-29-10-9-27-28-29)2-3-19(20)16-1-4-21(26-12-16)22(31)15-5-7-25-8-6-15/h1-4,9-12,15,18,22,25,31H,5-8,13-14H2/t18-,22?/m0/s1.
What are the key properties of (5R)-3-[3-fluoro-4-[6-[hydroxy(piperidin-4-yl)methyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
(5R)-3-[3-fluoro-4-[6-[hydroxy(piperidin-4-yl)methyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 452.49 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[3-fluoro-4-[6-[hydroxy(piperidin-4-yl)methyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 23624706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).