CID 89467192

C43H57N8O6Si — CID 89467192

IUPAC—
SMILESCOC(=O)N[C@H](C(=O)N[C@@H](C[Si](C)C)c1ncc(-c2ccc(-c3ccc(-c4nc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]c4C4CC4)cc3)cc2)[nH]1)C(C)C
InChIInChI=1S/C43H57N8O6Si/c1-24(2)34(49-42(54)56-5)40(52)46-32(23-58(7)8)38-44-22-31(45-38)28-15-11-26(12-16-28)27-13-17-29(18-14-27)36-37(30-19-20-30)48-39(47-36)33-10-9-21-51(33)41(53)35(25(3)4)50-43(55)57-6/h11-18,22,24-25,30,32-35H,9-10,19-21,23H2,1-8H3,(H,44,45)(H,46,52)(H,47,48)(H,49,54)(H,50,55)/t32-,33-,34-,35-/m0/s1
InChIKeyRVGVOWDVDYSDHZ-BBACVFHCSA-N
MW810.07 g/mol
LogP7.35
Rot. Bonds15

About CID 89467192

CID 89467192 (PubChem CID 89467192) has the molecular formula C43H57N8O6Si and a molecular weight of 810.07 g/mol.

Molecular Properties

Compound NameCID 89467192
PubChem CID89467192
Molecular FormulaC43H57N8O6Si
Molecular Weight810.07 g/mol
Exact Mass809.42
IUPAC Name—
SMILESCOC(=O)N[C@H](C(=O)N[C@@H](C[Si](C)C)c1ncc(-c2ccc(-c3ccc(-c4nc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]c4C4CC4)cc3)cc2)[nH]1)C(C)C
InChIInChI=1S/C43H57N8O6Si/c1-24(2)34(49-42(54)56-5)40(52)46-32(23-58(7)8)38-44-22-31(45-38)28-15-11-26(12-16-28)27-13-17-29(18-14-27)36-37(30-19-20-30)48-39(47-36)33-10-9-21-51(33)41(53)35(25(3)4)50-43(55)57-6/h11-18,22,24-25,30,32-35H,9-10,19-21,23H2,1-8H3,(H,44,45)(H,46,52)(H,47,48)(H,49,54)(H,50,55)/t32-,33-,34-,35-/m0/s1
InChIKeyRVGVOWDVDYSDHZ-BBACVFHCSA-N
XLogP7.35
TPSA183.43 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500810.07
LogP ≤ 57.35
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze CID 89467192 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

CID 89467281
CID 89467281
methyl N-[(2S)-1-[(2S)-2-[5-iodo-4-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 58519379
methyl N-[1-[(2S)-2-[5-[4-[4-[5-chloro-2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 139299620
methyl N-[1-[2-[5-[4-[4-[2-[1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 130370614
methyl N-[(2S)-1-[(2R)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 59669121
methyl N-[1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;dihydrochloride
CID 73265470
trideuteriomethyl N-[(2R)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2R)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 169436989
methyl N-[1-[(2S)-2-[5-[4-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 163436385
methyl N-[(2S)-1-[(2S)-2-[5-[4-[4-[2-[(1S)-1-amino-2,2-dimethylpropyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 140664405
methyl N-[(2S)-1-[(2S)-2-[5-(4-aminophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 71580308
methyl N-[(2S)-1-[(2S)-2-[5-chloro-4-[4-[4-[5-chloro-2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 53251325
methyl N-[(2S)-1-[(2R)-2-[5-[4-[4-[2-[[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]amino]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 25135026

Frequently Asked Questions

What is the IUPAC name of CID 89467192?
The IUPAC name of CID 89467192 (CID 89467192) is not available.
What is the SMILES notation for CID 89467192?
The canonical SMILES for CID 89467192 is COC(=O)N[C@H](C(=O)N[C@@H](C[Si](C)C)c1ncc(-c2ccc(-c3ccc(-c4nc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]c4C4CC4)cc3)cc2)[nH]1)C(C)C.
What is the InChIKey of CID 89467192?
The InChIKey is RVGVOWDVDYSDHZ-BBACVFHCSA-N. The full InChI is InChI=1S/C43H57N8O6Si/c1-24(2)34(49-42(54)56-5)40(52)46-32(23-58(7)8)38-44-22-31(45-38)28-15-11-26(12-16-28)27-13-17-29(18-14-27)36-37(30-19-20-30)48-39(47-36)33-10-9-21-51(33)41(53)35(25(3)4)50-43(55)57-6/h11-18,22,24-25,30,32-35H,9-10,19-21,23H2,1-8H3,(H,44,45)(H,46,52)(H,47,48)(H,49,54)(H,50,55)/t32-,33-,34-,35-/m0/s1.
What are the key properties of CID 89467192?
CID 89467192 has a molecular weight of 810.07 g/mol, XLogP of 7.35, 15 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89467192 is sourced from PubChem (CID 89467192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).