(4S)-4-methyl-3-[6-[(1R,9S)-1,11,11-trimethyl-5-[[1-(1-methylpiperidin-4-yl)-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

C32H40N8O4 — CID 174337269

About (4S)-4-methyl-3-[6-[(1R,9S)-1,11,11-trimethyl-5-[[1-(1-methylpiperidin-4-yl)-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,9S)-1,11,11-trimethyl-5-[[1-(1-methylpiperidin-4-yl)-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 174337269) has the molecular formula C32H40N8O4 and a molecular weight of 600.72 g/mol. Its IUPAC name is (4S)-4-methyl-3-[6-[(1R,9S)-1,11,11-trimethyl-5-[[1-(1-methylpiperidin-4-yl)-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,9S)-1,11,11-trimethyl-5-[[1-(1-methylpiperidin-4-yl)-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: 174337269
• Molecular Formula: C32H40N8O4
• Molecular Weight: 600.72 g/mol
• Exact Mass: 600.32
• IUPAC Name: (4S)-4-methyl-3-[6-[(1R,9S)-1,11,11-trimethyl-5-[[1-(1-methylpiperidin-4-yl)-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(C5CCN(C)CC5)c(=O)c4)ncc3[C@@]3(C)COC(C)(C)C[C@H]23)n1
• InChI: InChI=1S/C32H40N8O4/c1-20-18-43-30(42)39(20)25-7-6-8-26(35-25)40-24-16-31(2,3)44-19-32(24,4)23-17-33-29(36-28(23)40)34-21-9-14-38(27(41)15-21)22-10-12-37(5)13-11-22/h6-9,14-15,17,20,22,24H,10-13,16,18-19H2,1-5H3,(H,33,34,36)/t20-,24-,32+/m0/s1
• InChIKey: BPZZAHQXTWCCQE-RBZFEBGOSA-N
• XLogP: 4.37
• TPSA: 117.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	600.72
LogP ≤ 5	4.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of (4S)-4-methyl-3-[6-[(1R,9S)-1,11,11-trimethyl-5-[[1-(1-methylpiperidin-4-yl)-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,9S)-1,11,11-trimethyl-5-[[1-(1-methylpiperidin-4-yl)-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 174337269) is (4S)-4-methyl-3-[6-[(1R,9S)-1,11,11-trimethyl-5-[[1-(1-methylpiperidin-4-yl)-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,9S)-1,11,11-trimethyl-5-[[1-(1-methylpiperidin-4-yl)-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,9S)-1,11,11-trimethyl-5-[[1-(1-methylpiperidin-4-yl)-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(C5CCN(C)CC5)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,9S)-1,11,11-trimethyl-5-[[1-(1-methylpiperidin-4-yl)-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 BPZZAHQXTWCCQE-RBZFEBGOSA-N. The full InChI is InChI=1S/C32H40N8O4/c1-20-18-43-30(42)39(20)25-7-6-8-26(35-25)40-24-16-31(2,3)44-19-32(24,4)23-17-33-29(36-28(23)40)34-21-9-14-38(27(41)15-21)22-10-12-37(5)13-11-22/h6-9,14-15,17,20,22,24H,10-13,16,18-19H2,1-5H3,(H,33,34,36)/t20-,24-,32+/m0/s1.

What are the key properties of (4S)-4-methyl-3-[6-[(1R,9S)-1,11,11-trimethyl-5-[[1-(1-methylpiperidin-4-yl)-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,9S)-1,11,11-trimethyl-5-[[1-(1-methylpiperidin-4-yl)-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 600.72 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-4-methyl-3-[6-[(1R,9S)-1,11,11-trimethyl-5-[[1-(1-methylpiperidin-4-yl)-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 174337269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).