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

C22H22FN7O2 — CID 25131226

IUPAC(5R)-3-[4-[6-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESNC1(c2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cn2)[C@@H]2CNC[C@@H]21
InChIInChI=1S/C22H22FN7O2/c23-19-7-14(30-12-15(32-21(30)31)11-29-6-5-27-28-29)2-3-16(19)13-1-4-20(26-8-13)22(24)17-9-25-10-18(17)22/h1-8,15,17-18,25H,9-12,24H2/t15-,17-,18+,22?/m0/s1
InChIKeyVNGVBGXOHPLNQW-CSKYUFRLSA-N
MW435.46 g/mol
LogP1.51
Rot. Bonds5

About (5R)-3-[4-[6-[(1R,5S)-6-amino-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-amino-3-azabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (PubChem CID 25131226) has the molecular formula C22H22FN7O2 and a molecular weight of 435.46 g/mol. Its IUPAC name is (5R)-3-[4-[6-[(1R,5S)-6-amino-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-amino-3-azabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
PubChem CID25131226
Molecular FormulaC22H22FN7O2
Molecular Weight435.46 g/mol
Exact Mass435.18
IUPAC Name(5R)-3-[4-[6-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESNC1(c2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cn2)[C@@H]2CNC[C@@H]21
InChIInChI=1S/C22H22FN7O2/c23-19-7-14(30-12-15(32-21(30)31)11-29-6-5-27-28-29)2-3-16(19)13-1-4-20(26-8-13)22(24)17-9-25-10-18(17)22/h1-8,15,17-18,25H,9-12,24H2/t15-,17-,18+,22?/m0/s1
InChIKeyVNGVBGXOHPLNQW-CSKYUFRLSA-N
XLogP1.51
TPSA111.19 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.46
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (5R)-3-[4-[6-[(1R,5S)-6-amino-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-amino-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-amino-3-azabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (CID 25131226) is (5R)-3-[4-[6-[(1R,5S)-6-amino-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-amino-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-amino-3-azabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is NC1(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-amino-3-azabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The InChIKey is VNGVBGXOHPLNQW-CSKYUFRLSA-N. The full InChI is InChI=1S/C22H22FN7O2/c23-19-7-14(30-12-15(32-21(30)31)11-29-6-5-27-28-29)2-3-16(19)13-1-4-20(26-8-13)22(24)17-9-25-10-18(17)22/h1-8,15,17-18,25H,9-12,24H2/t15-,17-,18+,22?/m0/s1.
What are the key properties of (5R)-3-[4-[6-[(1R,5S)-6-amino-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-amino-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 435.46 g/mol, XLogP of 1.51, 5 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-amino-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 25131226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).