[(5R)-3-[3,5-difluoro-4-[4-[2-(imidazo[1,2-a]pyrimidine-2-carbonylamino)acetyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl hydrogen carbonate

About [(5R)-3-[3,5-difluoro-4-[4-[2-(imidazo[1,2-a]pyrimidine-2-carbonylamino)acetyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl hydrogen carbonate

[(5R)-3-[3,5-difluoro-4-[4-[2-(imidazo[1,2-a]pyrimidine-2-carbonylamino)acetyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl hydrogen carbonate (PubChem CID 70891439) has the molecular formula C24H23F2N7O7 and a molecular weight of 559.49 g/mol. Its IUPAC name is [(5R)-3-[3,5-difluoro-4-[4-[2-(imidazo[1,2-a]pyrimidine-2-carbonylamino)acetyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl hydrogen carbonate.

Molecular Properties

Compound Name	[(5R)-3-[3,5-difluoro-4-[4-[2-(imidazo[1,2-a]pyrimidine-2-carbonylamino)acetyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl hydrogen carbonate
PubChem CID	70891439
Molecular Formula	C24H23F2N7O7
Molecular Weight	559.49 g/mol
Exact Mass	559.16
IUPAC Name	[(5R)-3-[3,5-difluoro-4-[4-[2-(imidazo[1,2-a]pyrimidine-2-carbonylamino)acetyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl hydrogen carbonate
SMILES	O=C(O)OC[C@H]1CN(c2cc(F)c(N3CCN(C(=O)CNC(=O)c4cn5cccnc5n4)CC3)c(F)c2)C(=O)O1
InChI	InChI=1S/C24H23F2N7O7/c25-16-8-14(33-11-15(40-23(33)36)13-39-24(37)38)9-17(26)20(16)31-6-4-30(5-7-31)19(34)10-28-21(35)18-12-32-3-1-2-27-22(32)29-18/h1-3,8-9,12,15H,4-7,10-11,13H2,(H,28,35)(H,37,38)/t15-/m1/s1
InChIKey	YMSOIQKMRZGUOJ-OAHLLOKOSA-N
XLogP	1.11
TPSA	158.91 Å²
H-Bond Donors	2
H-Bond Acceptors	10
Rotatable Bonds	7
Heavy Atoms	40
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	559.49
LogP ≤ 5	1.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of [(5R)-3-[3,5-difluoro-4-[4-[2-(imidazo[1,2-a]pyrimidine-2-carbonylamino)acetyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl hydrogen carbonate?

The IUPAC name of [(5R)-3-[3,5-difluoro-4-[4-[2-(imidazo[1,2-a]pyrimidine-2-carbonylamino)acetyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl hydrogen carbonate (CID 70891439) is [(5R)-3-[3,5-difluoro-4-[4-[2-(imidazo[1,2-a]pyrimidine-2-carbonylamino)acetyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl hydrogen carbonate.

What is the SMILES notation for [(5R)-3-[3,5-difluoro-4-[4-[2-(imidazo[1,2-a]pyrimidine-2-carbonylamino)acetyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl hydrogen carbonate?

The canonical SMILES for [(5R)-3-[3,5-difluoro-4-[4-[2-(imidazo[1,2-a]pyrimidine-2-carbonylamino)acetyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl hydrogen carbonate is O=C(O)OC[C@H]1CN(c2cc(F)c(N3CCN(C(=O)CNC(=O)c4cn5cccnc5n4)CC3)c(F)c2)C(=O)O1.

What is the InChIKey of [(5R)-3-[3,5-difluoro-4-[4-[2-(imidazo[1,2-a]pyrimidine-2-carbonylamino)acetyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl hydrogen carbonate?

The InChIKey is YMSOIQKMRZGUOJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H23F2N7O7/c25-16-8-14(33-11-15(40-23(33)36)13-39-24(37)38)9-17(26)20(16)31-6-4-30(5-7-31)19(34)10-28-21(35)18-12-32-3-1-2-27-22(32)29-18/h1-3,8-9,12,15H,4-7,10-11,13H2,(H,28,35)(H,37,38)/t15-/m1/s1.

What are the key properties of [(5R)-3-[3,5-difluoro-4-[4-[2-(imidazo[1,2-a]pyrimidine-2-carbonylamino)acetyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl hydrogen carbonate?

[(5R)-3-[3,5-difluoro-4-[4-[2-(imidazo[1,2-a]pyrimidine-2-carbonylamino)acetyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl hydrogen carbonate has a molecular weight of 559.49 g/mol, XLogP of 1.11, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [(5R)-3-[3,5-difluoro-4-[4-[2-(imidazo[1,2-a]pyrimidine-2-carbonylamino)acetyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl hydrogen carbonate is sourced from PubChem (CID 70891439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).