(5R)-3-[4-[6-[(1R,5S)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one

C23H24FN7O2 — CID 25131225

IUPAC(5R)-3-[4-[6-[(1R,5S)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESNCC1(c2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cn2)[C@@H]2CNC[C@@H]21
InChIInChI=1S/C23H24FN7O2/c24-20-7-15(31-12-16(33-22(31)32)11-30-6-5-28-29-30)2-3-17(20)14-1-4-21(27-8-14)23(13-25)18-9-26-10-19(18)23/h1-8,16,18-19,26H,9-13,25H2/t16-,18-,19+,23?/m0/s1
InChIKeyABHZZYKQHXSLIO-UNDBCUNFSA-N
MW449.49 g/mol
LogP1.55
Rot. Bonds6

About (5R)-3-[4-[6-[(1R,5S)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one

(5R)-3-[4-[6-[(1R,5S)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (PubChem CID 25131225) has the molecular formula C23H24FN7O2 and a molecular weight of 449.49 g/mol. Its IUPAC name is (5R)-3-[4-[6-[(1R,5S)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-[4-[6-[(1R,5S)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
PubChem CID25131225
Molecular FormulaC23H24FN7O2
Molecular Weight449.49 g/mol
Exact Mass449.20
IUPAC Name(5R)-3-[4-[6-[(1R,5S)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESNCC1(c2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cn2)[C@@H]2CNC[C@@H]21
InChIInChI=1S/C23H24FN7O2/c24-20-7-15(31-12-16(33-22(31)32)11-30-6-5-28-29-30)2-3-17(20)14-1-4-21(27-8-14)23(13-25)18-9-26-10-19(18)23/h1-8,16,18-19,26H,9-13,25H2/t16-,18-,19+,23?/m0/s1
InChIKeyABHZZYKQHXSLIO-UNDBCUNFSA-N
XLogP1.55
TPSA111.19 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.49
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (5R)-3-[4-[6-[(1R,5S)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-[4-[6-[(1R,5S)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-[4-[6-[(1R,5S)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (CID 25131225) is (5R)-3-[4-[6-[(1R,5S)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-[4-[6-[(1R,5S)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-[4-[6-[(1R,5S)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is NCC1(c2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cn2)[C@@H]2CNC[C@@H]21.
What is the InChIKey of (5R)-3-[4-[6-[(1R,5S)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The InChIKey is ABHZZYKQHXSLIO-UNDBCUNFSA-N. The full InChI is InChI=1S/C23H24FN7O2/c24-20-7-15(31-12-16(33-22(31)32)11-30-6-5-28-29-30)2-3-17(20)14-1-4-21(27-8-14)23(13-25)18-9-26-10-19(18)23/h1-8,16,18-19,26H,9-13,25H2/t16-,18-,19+,23?/m0/s1.
What are the key properties of (5R)-3-[4-[6-[(1R,5S)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
(5R)-3-[4-[6-[(1R,5S)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 449.49 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[4-[6-[(1R,5S)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 25131225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).