tert-butyl N-[1-[6-cyano-6-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-3-carbonyl]cyclopropyl]carbamate

C32H33FN8O5 — CID 68615084

About tert-butyl N-[1-[6-cyano-6-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-3-carbonyl]cyclopropyl]carbamate

tert-butyl N-[1-[6-cyano-6-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-3-carbonyl]cyclopropyl]carbamate (PubChem CID 68615084) has the molecular formula C32H33FN8O5 and a molecular weight of 628.67 g/mol. Its IUPAC name is tert-butyl N-[1-[6-cyano-6-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-3-carbonyl]cyclopropyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[1-[6-cyano-6-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-3-carbonyl]cyclopropyl]carbamate
• PubChem CID: 68615084
• Molecular Formula: C32H33FN8O5
• Molecular Weight: 628.67 g/mol
• Exact Mass: 628.26
• IUPAC Name: tert-butyl N-[1-[6-cyano-6-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-3-carbonyl]cyclopropyl]carbamate
• SMILES: CC(C)(C)OC(=O)NC1(C(=O)N2CC3C(C2)C3(C#N)c2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cn2)CC1
• InChI: InChI=1S/C32H33FN8O5/c1-30(2,3)46-28(43)37-31(8-9-31)27(42)39-16-23-24(17-39)32(23,18-34)26-7-4-19(13-35-26)22-6-5-20(12-25(22)33)41-15-21(45-29(41)44)14-40-11-10-36-38-40/h4-7,10-13,21,23-24H,8-9,14-17H2,1-3H3,(H,37,43)/t21-,23?,24?,32?/m0/s1
• InChIKey: SGSKXADVTOPGJY-BNYYBTDNSA-N
• XLogP: 3.41
• TPSA: 155.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	628.67
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[6-cyano-6-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-3-carbonyl]cyclopropyl]carbamate?

The IUPAC name of tert-butyl N-[1-[6-cyano-6-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-3-carbonyl]cyclopropyl]carbamate (CID 68615084) is tert-butyl N-[1-[6-cyano-6-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-3-carbonyl]cyclopropyl]carbamate.

What is the SMILES notation for tert-butyl N-[1-[6-cyano-6-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-3-carbonyl]cyclopropyl]carbamate?

The canonical SMILES for tert-butyl N-[1-[6-cyano-6-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-3-carbonyl]cyclopropyl]carbamate is CC(C)(C)OC(=O)NC1(C(=O)N2CC3C(C2)C3(C#N)c2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cn2)CC1.

What is the InChIKey of tert-butyl N-[1-[6-cyano-6-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-3-carbonyl]cyclopropyl]carbamate?

The InChIKey is SGSKXADVTOPGJY-BNYYBTDNSA-N. The full InChI is InChI=1S/C32H33FN8O5/c1-30(2,3)46-28(43)37-31(8-9-31)27(42)39-16-23-24(17-39)32(23,18-34)26-7-4-19(13-35-26)22-6-5-20(12-25(22)33)41-15-21(45-29(41)44)14-40-11-10-36-38-40/h4-7,10-13,21,23-24H,8-9,14-17H2,1-3H3,(H,37,43)/t21-,23?,24?,32?/m0/s1.

What are the key properties of tert-butyl N-[1-[6-cyano-6-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-3-carbonyl]cyclopropyl]carbamate?

tert-butyl N-[1-[6-cyano-6-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-3-carbonyl]cyclopropyl]carbamate has a molecular weight of 628.67 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[1-[6-cyano-6-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-3-carbonyl]cyclopropyl]carbamate is sourced from PubChem (CID 68615084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).