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

C26H32FN7O3 — CID 23626925

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

(5R)-3-[3-fluoro-4-[6-[1-hydroxy-4-(4-methylpiperazin-1-yl)butyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (PubChem CID 23626925) has the molecular formula C26H32FN7O3 and a molecular weight of 509.59 g/mol. Its IUPAC name is (5R)-3-[3-fluoro-4-[6-[1-hydroxy-4-(4-methylpiperazin-1-yl)butyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (5R)-3-[3-fluoro-4-[6-[1-hydroxy-4-(4-methylpiperazin-1-yl)butyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
• PubChem CID: 23626925
• Molecular Formula: C26H32FN7O3
• Molecular Weight: 509.59 g/mol
• Exact Mass: 509.26
• IUPAC Name: (5R)-3-[3-fluoro-4-[6-[1-hydroxy-4-(4-methylpiperazin-1-yl)butyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
• SMILES: CN1CCN(CCCC(O)c2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cn2)CC1
• InChI: InChI=1S/C26H32FN7O3/c1-31-11-13-32(14-12-31)9-2-3-25(35)24-7-4-19(16-28-24)22-6-5-20(15-23(22)27)34-18-21(37-26(34)36)17-33-10-8-29-30-33/h4-8,10,15-16,21,25,35H,2-3,9,11-14,17-18H2,1H3/t21-,25?/m0/s1
• InChIKey: AVYHLZIFMTVPKS-BWDMCYIDSA-N
• XLogP: 2.57
• TPSA: 99.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.59
LogP ≤ 5	2.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[3-fluoro-4-[6-[1-hydroxy-4-(4-methylpiperazin-1-yl)butyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?

The IUPAC name of (5R)-3-[3-fluoro-4-[6-[1-hydroxy-4-(4-methylpiperazin-1-yl)butyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (CID 23626925) is (5R)-3-[3-fluoro-4-[6-[1-hydroxy-4-(4-methylpiperazin-1-yl)butyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.

What is the SMILES notation for (5R)-3-[3-fluoro-4-[6-[1-hydroxy-4-(4-methylpiperazin-1-yl)butyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?

The canonical SMILES for (5R)-3-[3-fluoro-4-[6-[1-hydroxy-4-(4-methylpiperazin-1-yl)butyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is CN1CCN(CCCC(O)c2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cn2)CC1.

What is the InChIKey of (5R)-3-[3-fluoro-4-[6-[1-hydroxy-4-(4-methylpiperazin-1-yl)butyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?

The InChIKey is AVYHLZIFMTVPKS-BWDMCYIDSA-N. The full InChI is InChI=1S/C26H32FN7O3/c1-31-11-13-32(14-12-31)9-2-3-25(35)24-7-4-19(16-28-24)22-6-5-20(15-23(22)27)34-18-21(37-26(34)36)17-33-10-8-29-30-33/h4-8,10,15-16,21,25,35H,2-3,9,11-14,17-18H2,1H3/t21-,25?/m0/s1.

What are the key properties of (5R)-3-[3-fluoro-4-[6-[1-hydroxy-4-(4-methylpiperazin-1-yl)butyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?

(5R)-3-[3-fluoro-4-[6-[1-hydroxy-4-(4-methylpiperazin-1-yl)butyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 509.59 g/mol, XLogP of 2.57, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-3-[3-fluoro-4-[6-[1-hydroxy-4-(4-methylpiperazin-1-yl)butyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 23626925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).