(4S)-4-methyl-3-[6-[(1R,9R)-1,11,11-trimethyl-5-[(1-methyl-2-oxo-4-pyridinyl)amino]-12-oxa-4,6,8-triazatricyclo[7.4.0.02,7]trideca-2,4,6-trien-8-yl]-2-pyridinyl]-1,3-oxazolidin-2-one

C27H31N7O4 — CID 171624613

About (4S)-4-methyl-3-[6-[(1R,9R)-1,11,11-trimethyl-5-[(1-methyl-2-oxo-4-pyridinyl)amino]-12-oxa-4,6,8-triazatricyclo[7.4.0.02,7]trideca-2,4,6-trien-8-yl]-2-pyridinyl]-1,3-oxazolidin-2-one

(4S)-4-methyl-3-[6-[(1R,9R)-1,11,11-trimethyl-5-[(1-methyl-2-oxo-4-pyridinyl)amino]-12-oxa-4,6,8-triazatricyclo[7.4.0.02,7]trideca-2,4,6-trien-8-yl]-2-pyridinyl]-1,3-oxazolidin-2-one (PubChem CID 171624613) has the molecular formula C27H31N7O4 and a molecular weight of 517.59 g/mol. Its IUPAC name is (4S)-4-methyl-3-[6-[(1R,9R)-1,11,11-trimethyl-5-[(1-methyl-2-oxo-4-pyridinyl)amino]-12-oxa-4,6,8-triazatricyclo[7.4.0.02,7]trideca-2,4,6-trien-8-yl]-2-pyridinyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (4S)-4-methyl-3-[6-[(1R,9R)-1,11,11-trimethyl-5-[(1-methyl-2-oxo-4-pyridinyl)amino]-12-oxa-4,6,8-triazatricyclo[7.4.0.02,7]trideca-2,4,6-trien-8-yl]-2-pyridinyl]-1,3-oxazolidin-2-one
• PubChem CID: 171624613
• Molecular Formula: C27H31N7O4
• Molecular Weight: 517.59 g/mol
• Exact Mass: 517.24
• IUPAC Name: (4S)-4-methyl-3-[6-[(1R,9R)-1,11,11-trimethyl-5-[(1-methyl-2-oxo-4-pyridinyl)amino]-12-oxa-4,6,8-triazatricyclo[7.4.0.02,7]trideca-2,4,6-trien-8-yl]-2-pyridinyl]-1,3-oxazolidin-2-one
• SMILES: C[C@H]1COC(=O)N1c1cccc(N2c3nc(Nc4ccn(C)c(=O)c4)ncc3[C@@]3(C)COC(C)(C)C[C@@H]23)n1
• InChI: InChI=1S/C27H31N7O4/c1-16-14-37-25(36)33(16)20-7-6-8-21(30-20)34-19-12-26(2,3)38-15-27(19,4)18-13-28-24(31-23(18)34)29-17-9-10-32(5)22(35)11-17/h6-11,13,16,19H,12,14-15H2,1-5H3,(H,28,29,31)/t16-,19+,27+/m0/s1
• InChIKey: IGZFGEAZRIDBSD-QAZDYGKNSA-N
• XLogP: 3.64
• TPSA: 114.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	517.59
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of (4S)-4-methyl-3-[6-[(1R,9R)-1,11,11-trimethyl-5-[(1-methyl-2-oxo-4-pyridinyl)amino]-12-oxa-4,6,8-triazatricyclo[7.4.0.02,7]trideca-2,4,6-trien-8-yl]-2-pyridinyl]-1,3-oxazolidin-2-one?

The IUPAC name of (4S)-4-methyl-3-[6-[(1R,9R)-1,11,11-trimethyl-5-[(1-methyl-2-oxo-4-pyridinyl)amino]-12-oxa-4,6,8-triazatricyclo[7.4.0.02,7]trideca-2,4,6-trien-8-yl]-2-pyridinyl]-1,3-oxazolidin-2-one (CID 171624613) is (4S)-4-methyl-3-[6-[(1R,9R)-1,11,11-trimethyl-5-[(1-methyl-2-oxo-4-pyridinyl)amino]-12-oxa-4,6,8-triazatricyclo[7.4.0.02,7]trideca-2,4,6-trien-8-yl]-2-pyridinyl]-1,3-oxazolidin-2-one.

What is the SMILES notation for (4S)-4-methyl-3-[6-[(1R,9R)-1,11,11-trimethyl-5-[(1-methyl-2-oxo-4-pyridinyl)amino]-12-oxa-4,6,8-triazatricyclo[7.4.0.02,7]trideca-2,4,6-trien-8-yl]-2-pyridinyl]-1,3-oxazolidin-2-one?

The canonical SMILES for (4S)-4-methyl-3-[6-[(1R,9R)-1,11,11-trimethyl-5-[(1-methyl-2-oxo-4-pyridinyl)amino]-12-oxa-4,6,8-triazatricyclo[7.4.0.02,7]trideca-2,4,6-trien-8-yl]-2-pyridinyl]-1,3-oxazolidin-2-one is C[C@H]1COC(=O)N1c1cccc(N2c3nc(Nc4ccn(C)c(=O)c4)ncc3[C@@]3(C)COC(C)(C)C[C@@H]23)n1.

What is the InChIKey of (4S)-4-methyl-3-[6-[(1R,9R)-1,11,11-trimethyl-5-[(1-methyl-2-oxo-4-pyridinyl)amino]-12-oxa-4,6,8-triazatricyclo[7.4.0.02,7]trideca-2,4,6-trien-8-yl]-2-pyridinyl]-1,3-oxazolidin-2-one?

The InChIKey is IGZFGEAZRIDBSD-QAZDYGKNSA-N. The full InChI is InChI=1S/C27H31N7O4/c1-16-14-37-25(36)33(16)20-7-6-8-21(30-20)34-19-12-26(2,3)38-15-27(19,4)18-13-28-24(31-23(18)34)29-17-9-10-32(5)22(35)11-17/h6-11,13,16,19H,12,14-15H2,1-5H3,(H,28,29,31)/t16-,19+,27+/m0/s1.

What are the key properties of (4S)-4-methyl-3-[6-[(1R,9R)-1,11,11-trimethyl-5-[(1-methyl-2-oxo-4-pyridinyl)amino]-12-oxa-4,6,8-triazatricyclo[7.4.0.02,7]trideca-2,4,6-trien-8-yl]-2-pyridinyl]-1,3-oxazolidin-2-one?

(4S)-4-methyl-3-[6-[(1R,9R)-1,11,11-trimethyl-5-[(1-methyl-2-oxo-4-pyridinyl)amino]-12-oxa-4,6,8-triazatricyclo[7.4.0.02,7]trideca-2,4,6-trien-8-yl]-2-pyridinyl]-1,3-oxazolidin-2-one has a molecular weight of 517.59 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-4-methyl-3-[6-[(1R,9R)-1,11,11-trimethyl-5-[(1-methyl-2-oxo-4-pyridinyl)amino]-12-oxa-4,6,8-triazatricyclo[7.4.0.02,7]trideca-2,4,6-trien-8-yl]-2-pyridinyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 171624613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).