methyl N-[2-[(6R)-6-[5-(4-bromophenyl)-1H-imidazol-2-yl]-5-azaspiro[2.4]heptan-5-yl]-2-oxoethyl]carbamate

C19H21BrN4O3 — CID 130414875

IUPACmethyl N-[2-[(6R)-6-[5-(4-bromophenyl)-1H-imidazol-2-yl]-5-azaspiro[2.4]heptan-5-yl]-2-oxoethyl]carbamate
SMILESCOC(=O)NCC(=O)N1CC2(CC2)C[C@@H]1c1ncc(-c2ccc(Br)cc2)[nH]1
InChIInChI=1S/C19H21BrN4O3/c1-27-18(26)22-10-16(25)24-11-19(6-7-19)8-15(24)17-21-9-14(23-17)12-2-4-13(20)5-3-12/h2-5,9,15H,6-8,10-11H2,1H3,(H,21,23)(H,22,26)/t15-/m1/s1
InChIKeyGVDLELBOYLPCOU-OAHLLOKOSA-N
MW433.31 g/mol
LogP3.25
Rot. Bonds4

About methyl N-[2-[(6R)-6-[5-(4-bromophenyl)-1H-imidazol-2-yl]-5-azaspiro[2.4]heptan-5-yl]-2-oxoethyl]carbamate

methyl N-[2-[(6R)-6-[5-(4-bromophenyl)-1H-imidazol-2-yl]-5-azaspiro[2.4]heptan-5-yl]-2-oxoethyl]carbamate (PubChem CID 130414875) has the molecular formula C19H21BrN4O3 and a molecular weight of 433.31 g/mol. Its IUPAC name is methyl N-[2-[(6R)-6-[5-(4-bromophenyl)-1H-imidazol-2-yl]-5-azaspiro[2.4]heptan-5-yl]-2-oxoethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[(6R)-6-[5-(4-bromophenyl)-1H-imidazol-2-yl]-5-azaspiro[2.4]heptan-5-yl]-2-oxoethyl]carbamate
PubChem CID130414875
Molecular FormulaC19H21BrN4O3
Molecular Weight433.31 g/mol
Exact Mass432.08
IUPAC Namemethyl N-[2-[(6R)-6-[5-(4-bromophenyl)-1H-imidazol-2-yl]-5-azaspiro[2.4]heptan-5-yl]-2-oxoethyl]carbamate
SMILESCOC(=O)NCC(=O)N1CC2(CC2)C[C@@H]1c1ncc(-c2ccc(Br)cc2)[nH]1
InChIInChI=1S/C19H21BrN4O3/c1-27-18(26)22-10-16(25)24-11-19(6-7-19)8-15(24)17-21-9-14(23-17)12-2-4-13(20)5-3-12/h2-5,9,15H,6-8,10-11H2,1H3,(H,21,23)(H,22,26)/t15-/m1/s1
InChIKeyGVDLELBOYLPCOU-OAHLLOKOSA-N
XLogP3.25
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.31
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl N-[2-[(6R)-6-[5-(4-bromophenyl)-1H-imidazol-2-yl]-5-azaspiro[2.4]heptan-5-yl]-2-oxoethyl]carbamate 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

methyl N-[1-[6-[5-(4-bromophenyl)-1H-imidazol-2-yl]-5-azaspiro[2.4]heptan-5-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 66620752
tert-butyl 6-[5-(4-bromophenyl)-1H-imidazol-2-yl]-5-azaspiro[2.4]heptane-5-carboxylate
CID 66620372
methyl N-[2-[(5S)-5-[5-(4-bromophenyl)-1H-imidazol-2-yl]-3-phenylimidazolidin-1-yl]-2-oxoethyl]carbamate
CID 130415148
methyl N-[2-[6-[5-[4-[4-[2-[(1R,3S,4S)-2-[2-(methoxycarbonylamino)acetyl]-2-azabicyclo[2.2.1]heptan-3-yl]-3H-benzimidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-5-azaspiro[2.4]heptan-5-yl]-2-oxoethyl]carbamate
CID 134422041
methyl N-[3-methoxy-1-[2-[5-[4-[6-[2-[5-[2-(methoxycarbonylamino)acetyl]-5-azaspiro[2.4]heptan-6-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate
CID 90983079
1-[3-[5-(4-bromophenyl)-1H-imidazol-2-yl]-2-azaspiro[4.4]nonan-2-yl]-2,3-dimethoxybutan-1-one
CID 144904468
methyl N-[(2R)-1-[(6S)-6-[5-[4-[4-[2-[(6S)-5-[(2R)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-azaspiro[2.4]heptan-6-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-5-azaspiro[2.4]heptan-5-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 91337709
methyl N-[(2S)-1-[6-[5-[4-[4-[2-[5-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-azaspiro[2.4]heptan-6-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-5-azaspiro[2.4]heptan-5-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 66828931
methyl N-[2-[(2S)-2-[5-[4-[4-[2-(1,5-dimethylpyrrolidin-2-yl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]carbamate
CID 145150457
methyl N-[1-[6-[5-[4-[6-[2-[5-[2-(methoxycarbonylamino)-3-methylbutanoyl]-5-azaspiro[2.4]heptan-6-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]-5-azaspiro[2.4]heptan-5-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 66620650
methyl N-[2-[2-[5-[6-[4-[2-[1-[2-(methylamino)acetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]carbamate
CID 134270190
methyl N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[5-[4-[4-[2-[(2S,4R)-4-hydroxy-1-[2-(methoxycarbonylamino)acetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate
CID 130410360

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[(6R)-6-[5-(4-bromophenyl)-1H-imidazol-2-yl]-5-azaspiro[2.4]heptan-5-yl]-2-oxoethyl]carbamate?
The IUPAC name of methyl N-[2-[(6R)-6-[5-(4-bromophenyl)-1H-imidazol-2-yl]-5-azaspiro[2.4]heptan-5-yl]-2-oxoethyl]carbamate (CID 130414875) is methyl N-[2-[(6R)-6-[5-(4-bromophenyl)-1H-imidazol-2-yl]-5-azaspiro[2.4]heptan-5-yl]-2-oxoethyl]carbamate.
What is the SMILES notation for methyl N-[2-[(6R)-6-[5-(4-bromophenyl)-1H-imidazol-2-yl]-5-azaspiro[2.4]heptan-5-yl]-2-oxoethyl]carbamate?
The canonical SMILES for methyl N-[2-[(6R)-6-[5-(4-bromophenyl)-1H-imidazol-2-yl]-5-azaspiro[2.4]heptan-5-yl]-2-oxoethyl]carbamate is COC(=O)NCC(=O)N1CC2(CC2)C[C@@H]1c1ncc(-c2ccc(Br)cc2)[nH]1.
What is the InChIKey of methyl N-[2-[(6R)-6-[5-(4-bromophenyl)-1H-imidazol-2-yl]-5-azaspiro[2.4]heptan-5-yl]-2-oxoethyl]carbamate?
The InChIKey is GVDLELBOYLPCOU-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H21BrN4O3/c1-27-18(26)22-10-16(25)24-11-19(6-7-19)8-15(24)17-21-9-14(23-17)12-2-4-13(20)5-3-12/h2-5,9,15H,6-8,10-11H2,1H3,(H,21,23)(H,22,26)/t15-/m1/s1.
What are the key properties of methyl N-[2-[(6R)-6-[5-(4-bromophenyl)-1H-imidazol-2-yl]-5-azaspiro[2.4]heptan-5-yl]-2-oxoethyl]carbamate?
methyl N-[2-[(6R)-6-[5-(4-bromophenyl)-1H-imidazol-2-yl]-5-azaspiro[2.4]heptan-5-yl]-2-oxoethyl]carbamate has a molecular weight of 433.31 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[(6R)-6-[5-(4-bromophenyl)-1H-imidazol-2-yl]-5-azaspiro[2.4]heptan-5-yl]-2-oxoethyl]carbamate is sourced from PubChem (CID 130414875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).