tert-butyl (2'S,3R)-2'-carbamoyl-2-oxospiro[1H-imidazo[1,2-b]indazole-3,4'-pyrrolidine]-1'-carboxylate

C18H21N5O4 — CID 171733314

IUPACtert-butyl (2'S,3R)-2'-carbamoyl-2-oxospiro[1H-imidazo[1,2-b]indazole-3,4'-pyrrolidine]-1'-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@]2(C[C@H]1C(N)=O)C(=O)Nc1c3ccccc3nn12
InChIInChI=1S/C18H21N5O4/c1-17(2,3)27-16(26)22-9-18(8-12(22)13(19)24)15(25)20-14-10-6-4-5-7-11(10)21-23(14)18/h4-7,12H,8-9H2,1-3H3,(H2,19,24)(H,20,25)/t12-,18+/m0/s1
InChIKeyVXMLXEMEGPHBRE-KPZWWZAWSA-N
MW371.40 g/mol
LogP1.18
Rot. Bonds1

About tert-butyl (2'S,3R)-2'-carbamoyl-2-oxospiro[1H-imidazo[1,2-b]indazole-3,4'-pyrrolidine]-1'-carboxylate

tert-butyl (2'S,3R)-2'-carbamoyl-2-oxospiro[1H-imidazo[1,2-b]indazole-3,4'-pyrrolidine]-1'-carboxylate (PubChem CID 171733314) has the molecular formula C18H21N5O4 and a molecular weight of 371.40 g/mol. Its IUPAC name is tert-butyl (2'S,3R)-2'-carbamoyl-2-oxospiro[1H-imidazo[1,2-b]indazole-3,4'-pyrrolidine]-1'-carboxylate.

Molecular Properties

Compound Nametert-butyl (2'S,3R)-2'-carbamoyl-2-oxospiro[1H-imidazo[1,2-b]indazole-3,4'-pyrrolidine]-1'-carboxylate
PubChem CID171733314
Molecular FormulaC18H21N5O4
Molecular Weight371.40 g/mol
Exact Mass371.16
IUPAC Nametert-butyl (2'S,3R)-2'-carbamoyl-2-oxospiro[1H-imidazo[1,2-b]indazole-3,4'-pyrrolidine]-1'-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@]2(C[C@H]1C(N)=O)C(=O)Nc1c3ccccc3nn12
InChIInChI=1S/C18H21N5O4/c1-17(2,3)27-16(26)22-9-18(8-12(22)13(19)24)15(25)20-14-10-6-4-5-7-11(10)21-23(14)18/h4-7,12H,8-9H2,1-3H3,(H2,19,24)(H,20,25)/t12-,18+/m0/s1
InChIKeyVXMLXEMEGPHBRE-KPZWWZAWSA-N
XLogP1.18
TPSA119.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl (2'S,3R)-2'-carbamoyl-2-oxospiro[1H-imidazo[1,2-b]indazole-3,4'-pyrrolidine]-1'-carboxylate 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

tert-butyl (2'S,3R)-2'-carbamoyl-2-oxo-6-phenylspiro[1H-imidazo[2,1-e]pyrazole-3,4'-pyrrolidine]-1'-carboxylate
CID 171733539
(2'S,3R)-4-methyl-1'-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxospiro[1H-quinoxaline-3,4'-pyrrolidine]-2'-carboxylic acid
CID 171733457
tert-butyl (6S,8S)-8-carbamoyl-11-oxo-9,12-diazadispiro[2.2.46.23]dodecane-9-carboxylate
CID 175903341
tert-butyl (5S,8S)-8-carbamoyl-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxylate
CID 168792888
tert-butyl (2'S,3S)-2'-carbamoylspiro[1,2-dihydroindole-3,4'-pyrrolidine]-1'-carboxylate
CID 167078747
tert-butyl (2'S)-2'-carbamoyl-5-chloro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-carboxylate
CID 164777025
tert-butyl (2R,2'S)-2'-carbamoyl-6-fluoro-3-oxospiro[4H-1,4-benzoxazine-2,4'-pyrrolidine]-1'-carboxylate
CID 171550103
8-O-benzyl 7-O-tert-butyl (5R,8S)-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7,8-dicarboxylate
CID 101015518
2-O-benzyl 1-O-tert-butyl (4R)-4-fluoro-4-methylpyrrolidine-1,2-dicarboxylate
CID 126642822
tert-butyl 2-[2-(2-hydroxyethyl)indazole-3-carbonyl]azetidine-1-carboxylate
CID 137428190
tert-butyl 2-carbamoyl-4-(phenylcarbamoyl)pyrrolidine-1-carboxylate
CID 169189319
tert-butyl 4,4-dimethyl-2-(2-methylphenyl)pyrrolidine-1-carboxylate
CID 164551205

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2'S,3R)-2'-carbamoyl-2-oxospiro[1H-imidazo[1,2-b]indazole-3,4'-pyrrolidine]-1'-carboxylate?
The IUPAC name of tert-butyl (2'S,3R)-2'-carbamoyl-2-oxospiro[1H-imidazo[1,2-b]indazole-3,4'-pyrrolidine]-1'-carboxylate (CID 171733314) is tert-butyl (2'S,3R)-2'-carbamoyl-2-oxospiro[1H-imidazo[1,2-b]indazole-3,4'-pyrrolidine]-1'-carboxylate.
What is the SMILES notation for tert-butyl (2'S,3R)-2'-carbamoyl-2-oxospiro[1H-imidazo[1,2-b]indazole-3,4'-pyrrolidine]-1'-carboxylate?
The canonical SMILES for tert-butyl (2'S,3R)-2'-carbamoyl-2-oxospiro[1H-imidazo[1,2-b]indazole-3,4'-pyrrolidine]-1'-carboxylate is CC(C)(C)OC(=O)N1C[C@]2(C[C@H]1C(N)=O)C(=O)Nc1c3ccccc3nn12.
What is the InChIKey of tert-butyl (2'S,3R)-2'-carbamoyl-2-oxospiro[1H-imidazo[1,2-b]indazole-3,4'-pyrrolidine]-1'-carboxylate?
The InChIKey is VXMLXEMEGPHBRE-KPZWWZAWSA-N. The full InChI is InChI=1S/C18H21N5O4/c1-17(2,3)27-16(26)22-9-18(8-12(22)13(19)24)15(25)20-14-10-6-4-5-7-11(10)21-23(14)18/h4-7,12H,8-9H2,1-3H3,(H2,19,24)(H,20,25)/t12-,18+/m0/s1.
What are the key properties of tert-butyl (2'S,3R)-2'-carbamoyl-2-oxospiro[1H-imidazo[1,2-b]indazole-3,4'-pyrrolidine]-1'-carboxylate?
tert-butyl (2'S,3R)-2'-carbamoyl-2-oxospiro[1H-imidazo[1,2-b]indazole-3,4'-pyrrolidine]-1'-carboxylate has a molecular weight of 371.40 g/mol, XLogP of 1.18, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2'S,3R)-2'-carbamoyl-2-oxospiro[1H-imidazo[1,2-b]indazole-3,4'-pyrrolidine]-1'-carboxylate is sourced from PubChem (CID 171733314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).