CID 68542913

C26H29FN6O7Si — CID 68542913

IUPAC—
SMILESCC(C)(C)[Si]OC(C)(C)[C@H]1CN(c2ccc(-c3cnc(O[C@@H]4COc5nc([N+](=O)[O-])cn5C4)nc3)c(F)c2)C(=O)O1
InChIInChI=1S/C26H29FN6O7Si/c1-25(2,3)41-40-26(4,5)20-12-32(24(34)39-20)16-6-7-18(19(27)8-16)15-9-28-22(29-10-15)38-17-11-31-13-21(33(35)36)30-23(31)37-14-17/h6-10,13,17,20H,11-12,14H2,1-5H3/t17-,20+/m0/s1
InChIKeyRTZARVUCEXKOBL-FXAWDEMLSA-N
MW584.64 g/mol
LogP4.19
Rot. Bonds8

About CID 68542913

CID 68542913 (PubChem CID 68542913) has the molecular formula C26H29FN6O7Si and a molecular weight of 584.64 g/mol.

Molecular Properties

Compound NameCID 68542913
PubChem CID68542913
Molecular FormulaC26H29FN6O7Si
Molecular Weight584.64 g/mol
Exact Mass584.19
IUPAC Name—
SMILESCC(C)(C)[Si]OC(C)(C)[C@H]1CN(c2ccc(-c3cnc(O[C@@H]4COc5nc([N+](=O)[O-])cn5C4)nc3)c(F)c2)C(=O)O1
InChIInChI=1S/C26H29FN6O7Si/c1-25(2,3)41-40-26(4,5)20-12-32(24(34)39-20)16-6-7-18(19(27)8-16)15-9-28-22(29-10-15)38-17-11-31-13-21(33(35)36)30-23(31)37-14-17/h6-10,13,17,20H,11-12,14H2,1-5H3/t17-,20+/m0/s1
InChIKeyRTZARVUCEXKOBL-FXAWDEMLSA-N
XLogP4.19
TPSA143.97 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.64
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze CID 68542913 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2-tert-butylsilyloxypropan-2-yl)-3-[3-fluoro-4-[4-[(2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl)oxymethyl]phenyl]phenyl]-1,3-oxazolidin-2-one
CID 131727896
ditert-butyl [(5R)-3-[3-fluoro-4-[6-[[(6S)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl]oxy]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl phosphate
CID 70917960
[3-[3-fluoro-4-[6-[(2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl)oxy]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate
CID 68545922
N-[[3-[3-fluoro-4-[4-morpholin-4-yl-2-[(2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl)oxy]pyrimidin-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 68542442
3-[3-fluoro-4-[6-[(2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl)oxymethyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 68546646
(5S)-3-[3-fluoro-4-[6-[[(6R)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl]oxymethyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 68546653
(6S)-6-(5-bromopyrimidin-2-yl)oxy-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
CID 68545247
N-[[(5S)-3-[3-fluoro-4-[5-[[[(6R)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl]amino]methyl]-2-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 70917967
(6S)-6-(5-bromo-4-methoxypyrimidin-2-yl)oxy-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
CID 68545745
N-[[3-[3-fluoro-4-[2-[4-[(2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl)methyl]piperazin-1-yl]pyrimidin-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 68546508
6-methoxy-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
CID 75071587
N-[[3-[3-fluoro-4-[4-[2-[4-[(2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl)oxymethyl]phenoxy]acetyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 68545454

Frequently Asked Questions

What is the IUPAC name of CID 68542913?
The IUPAC name of CID 68542913 (CID 68542913) is not available.
What is the SMILES notation for CID 68542913?
The canonical SMILES for CID 68542913 is CC(C)(C)[Si]OC(C)(C)[C@H]1CN(c2ccc(-c3cnc(O[C@@H]4COc5nc([N+](=O)[O-])cn5C4)nc3)c(F)c2)C(=O)O1.
What is the InChIKey of CID 68542913?
The InChIKey is RTZARVUCEXKOBL-FXAWDEMLSA-N. The full InChI is InChI=1S/C26H29FN6O7Si/c1-25(2,3)41-40-26(4,5)20-12-32(24(34)39-20)16-6-7-18(19(27)8-16)15-9-28-22(29-10-15)38-17-11-31-13-21(33(35)36)30-23(31)37-14-17/h6-10,13,17,20H,11-12,14H2,1-5H3/t17-,20+/m0/s1.
What are the key properties of CID 68542913?
CID 68542913 has a molecular weight of 584.64 g/mol, XLogP of 4.19, 8 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for CID 68542913 is sourced from PubChem (CID 68542913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).