methyl 5-chloro-1-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-yl]carbamoyl]spiro[2H-indole-3,3'-pyrrolidine]-1'-carboxylate

C23H26ClN5O4S — CID 90449855

IUPACmethyl 5-chloro-1-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-yl]carbamoyl]spiro[2H-indole-3,3'-pyrrolidine]-1'-carboxylate
SMILESCOC(=O)N1CCC2(C1)CN(C(=O)Nc1nc(CC(=O)N3CCCC3)cs1)c1ccc(Cl)cc12
InChIInChI=1S/C23H26ClN5O4S/c1-33-22(32)28-9-6-23(13-28)14-29(18-5-4-15(24)10-17(18)23)21(31)26-20-25-16(12-34-20)11-19(30)27-7-2-3-8-27/h4-5,10,12H,2-3,6-9,11,13-14H2,1H3,(H,25,26,31)
InChIKeyDBKRUJDRCAVIDB-UHFFFAOYSA-N
MW504.01 g/mol
LogP3.72
Rot. Bonds3

About methyl 5-chloro-1-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-yl]carbamoyl]spiro[2H-indole-3,3'-pyrrolidine]-1'-carboxylate

methyl 5-chloro-1-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-yl]carbamoyl]spiro[2H-indole-3,3'-pyrrolidine]-1'-carboxylate (PubChem CID 90449855) has the molecular formula C23H26ClN5O4S and a molecular weight of 504.01 g/mol. Its IUPAC name is methyl 5-chloro-1-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-yl]carbamoyl]spiro[2H-indole-3,3'-pyrrolidine]-1'-carboxylate.

Molecular Properties

Compound Namemethyl 5-chloro-1-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-yl]carbamoyl]spiro[2H-indole-3,3'-pyrrolidine]-1'-carboxylate
PubChem CID90449855
Molecular FormulaC23H26ClN5O4S
Molecular Weight504.01 g/mol
Exact Mass503.14
IUPAC Namemethyl 5-chloro-1-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-yl]carbamoyl]spiro[2H-indole-3,3'-pyrrolidine]-1'-carboxylate
SMILESCOC(=O)N1CCC2(C1)CN(C(=O)Nc1nc(CC(=O)N3CCCC3)cs1)c1ccc(Cl)cc12
InChIInChI=1S/C23H26ClN5O4S/c1-33-22(32)28-9-6-23(13-28)14-29(18-5-4-15(24)10-17(18)23)21(31)26-20-25-16(12-34-20)11-19(30)27-7-2-3-8-27/h4-5,10,12H,2-3,6-9,11,13-14H2,1H3,(H,25,26,31)
InChIKeyDBKRUJDRCAVIDB-UHFFFAOYSA-N
XLogP3.72
TPSA95.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.01
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 5-chloro-1-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-yl]carbamoyl]spiro[2H-indole-3,3'-pyrrolidine]-1'-carboxylate with MolForge

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Related Compounds

2-[(5-chloro-1'-methoxycarbonylspiro[2H-indole-3,3'-pyrrolidine]-1-carbonyl)amino]-1,3-thiazole-4-carboxylic acid
CID 90450037
methyl 5-chloro-1-[2-[4-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]acetyl]spiro[2H-indole-3,3'-pyrrolidine]-1'-carboxylate
CID 158247466
methyl 1-[[5-[3-(azetidin-1-yl)-3-oxopropyl]sulfanyl-1,3-thiazol-2-yl]carbamoyl]-5-chlorospiro[2H-indole-3,3'-pyrrolidine]-1'-carboxylate
CID 90449628
ethyl 2-[(5-chloro-1'-methoxycarbonylspiro[2H-indole-3,3'-pyrrolidine]-1-carbonyl)amino]-1,3-thiazole-5-carboxylate
CID 90449625
methyl 5-chloro-1-[2-(5-methyl-1,3-thiazol-2-yl)acetyl]spiro[2H-indole-3,3'-pyrrolidine]-1'-carboxylate
CID 152930583
methyl 5-chloro-1-[[5-[2-(oxan-2-yloxy)ethylsulfanyl]-1,3-thiazol-2-yl]carbamoyl]spiro[2H-indole-3,3'-pyrrolidine]-1'-carboxylate
CID 90449586
methyl 1-[2-[5-(2-aminoethylsulfanyl)-1,3-thiazol-2-yl]acetyl]-5-chlorospiro[2H-indole-3,3'-pyrrolidine]-1'-carboxylate
CID 147112340
methyl 5-chloro-1-[2-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]acetyl]spiro[2H-indole-3,3'-pyrrolidine]-1'-carboxylate
CID 149460282
methyl (3S)-5,6-dichloro-1-[(5-fluoro-1,3-thiazol-2-yl)carbamoyl]spiro[2H-indole-3,3'-pyrrolidine]-1'-carboxylate
CID 90449941
5-chloro-N-(5-chloro-1,3-thiazol-2-yl)-1'-[2-(dimethylamino)-2-oxoacetyl]spiro[2H-indole-3,3'-pyrrolidine]-1-carboxamide
CID 90449858
methyl 5-chloro-1-[[5-[4-(oxan-2-yloxyamino)-4-oxobutyl]sulfanyl-1,3-thiazol-2-yl]carbamoyl]spiro[2H-indole-3,3'-pyrrolidine]-1'-carboxylate
CID 90449314
methyl 2-[5-chloro-1-[(5-chloro-1,3-thiazol-2-yl)carbamoyl]spiro[2H-indole-3,3'-pyrrolidine]-1'-yl]acetate
CID 90449729

Frequently Asked Questions

What is the IUPAC name of methyl 5-chloro-1-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-yl]carbamoyl]spiro[2H-indole-3,3'-pyrrolidine]-1'-carboxylate?
The IUPAC name of methyl 5-chloro-1-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-yl]carbamoyl]spiro[2H-indole-3,3'-pyrrolidine]-1'-carboxylate (CID 90449855) is methyl 5-chloro-1-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-yl]carbamoyl]spiro[2H-indole-3,3'-pyrrolidine]-1'-carboxylate.
What is the SMILES notation for methyl 5-chloro-1-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-yl]carbamoyl]spiro[2H-indole-3,3'-pyrrolidine]-1'-carboxylate?
The canonical SMILES for methyl 5-chloro-1-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-yl]carbamoyl]spiro[2H-indole-3,3'-pyrrolidine]-1'-carboxylate is COC(=O)N1CCC2(C1)CN(C(=O)Nc1nc(CC(=O)N3CCCC3)cs1)c1ccc(Cl)cc12.
What is the InChIKey of methyl 5-chloro-1-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-yl]carbamoyl]spiro[2H-indole-3,3'-pyrrolidine]-1'-carboxylate?
The InChIKey is DBKRUJDRCAVIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN5O4S/c1-33-22(32)28-9-6-23(13-28)14-29(18-5-4-15(24)10-17(18)23)21(31)26-20-25-16(12-34-20)11-19(30)27-7-2-3-8-27/h4-5,10,12H,2-3,6-9,11,13-14H2,1H3,(H,25,26,31).
What are the key properties of methyl 5-chloro-1-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-yl]carbamoyl]spiro[2H-indole-3,3'-pyrrolidine]-1'-carboxylate?
methyl 5-chloro-1-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-yl]carbamoyl]spiro[2H-indole-3,3'-pyrrolidine]-1'-carboxylate has a molecular weight of 504.01 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chloro-1-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-yl]carbamoyl]spiro[2H-indole-3,3'-pyrrolidine]-1'-carboxylate is sourced from PubChem (CID 90449855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).