CID 23593893

C25H33BN6O5 — CID 23593893

IUPAC—
SMILES[B]C(=O)NC(C)(C)C(=O)NC(COCc1ccccc1)C(=O)Nc1cn(CC(=O)N2CCCCC2)cn1
InChIInChI=1S/C25H33BN6O5/c1-25(2,30-24(26)36)23(35)28-19(16-37-15-18-9-5-3-6-10-18)22(34)29-20-13-31(17-27-20)14-21(33)32-11-7-4-8-12-32/h3,5-6,9-10,13,17,19H,4,7-8,11-12,14-16H2,1-2H3,(H,28,35)(H,29,34)(H,30,36)
InChIKeyRIJHOUVKWQYYSK-UHFFFAOYSA-N
MW508.39 g/mol
LogP1.19
Rot. Bonds11

About CID 23593893

CID 23593893 (PubChem CID 23593893) has the molecular formula C25H33BN6O5 and a molecular weight of 508.39 g/mol.

Molecular Properties

Compound NameCID 23593893
PubChem CID23593893
Molecular FormulaC25H33BN6O5
Molecular Weight508.39 g/mol
Exact Mass508.26
IUPAC Name—
SMILES[B]C(=O)NC(C)(C)C(=O)NC(COCc1ccccc1)C(=O)Nc1cn(CC(=O)N2CCCCC2)cn1
InChIInChI=1S/C25H33BN6O5/c1-25(2,30-24(26)36)23(35)28-19(16-37-15-18-9-5-3-6-10-18)22(34)29-20-13-31(17-27-20)14-21(33)32-11-7-4-8-12-32/h3,5-6,9-10,13,17,19H,4,7-8,11-12,14-16H2,1-2H3,(H,28,35)(H,29,34)(H,30,36)
InChIKeyRIJHOUVKWQYYSK-UHFFFAOYSA-N
XLogP1.19
TPSA134.66 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.39
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze CID 23593893 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 59103071
CID 59103071
2-amino-N-[(2R)-1-[[1-[2-(4-ethylpiperidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide;methane
CID 157415337
CID 23593892
CID 23593892
2-amino-N-[(2R)-1-[[1-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide
CID 59976033
tert-butyl N-[2-methyl-1-oxo-1-[[(2R)-1-oxo-1-[[1-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]imidazol-4-yl]amino]-3-phenylmethoxypropan-2-yl]amino]propan-2-yl]carbamate
CID 59976136
2-amino-N-[1-[[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide
CID 20711040
tert-butyl N-[1-[[(2R)-1-[[1-[2-(benzylamino)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamate
CID 58583607
2-amino-2-methyl-N-[(2R)-1-[[1-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide;methane
CID 157337804
2-amino-2-methyl-N-[1-oxo-1-[[1-(3-oxo-1-phenyl-3-pyrrolidin-1-ylpropyl)imidazol-4-yl]amino]-3-phenylmethoxypropan-2-yl]propanamide
CID 20711077
2-amino-2-methyl-N-[1-oxo-1-[[1-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)imidazol-4-yl]amino]-3-phenylmethoxypropan-2-yl]propanamide
CID 20711058
2-amino-N-[(2R)-1-[[1-[2-(azocan-1-yl)-2-oxo-1-phenylethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide;sulfane;dihydrochloride
CID 158468349
2,2-dimethyl-N-[1-[[1-[2-[2-(methylperoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide
CID 20711315

Frequently Asked Questions

What is the IUPAC name of CID 23593893?
The IUPAC name of CID 23593893 (CID 23593893) is not available.
What is the SMILES notation for CID 23593893?
The canonical SMILES for CID 23593893 is [B]C(=O)NC(C)(C)C(=O)NC(COCc1ccccc1)C(=O)Nc1cn(CC(=O)N2CCCCC2)cn1.
What is the InChIKey of CID 23593893?
The InChIKey is RIJHOUVKWQYYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33BN6O5/c1-25(2,30-24(26)36)23(35)28-19(16-37-15-18-9-5-3-6-10-18)22(34)29-20-13-31(17-27-20)14-21(33)32-11-7-4-8-12-32/h3,5-6,9-10,13,17,19H,4,7-8,11-12,14-16H2,1-2H3,(H,28,35)(H,29,34)(H,30,36).
What are the key properties of CID 23593893?
CID 23593893 has a molecular weight of 508.39 g/mol, XLogP of 1.19, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 23593893 is sourced from PubChem (CID 23593893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).