5'-(3-amino-3-oxopropyl)-7-chloro-N-(2,5-dimethoxyphenyl)-2-oxospiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide

C23H25ClN4O5 — CID 73400489

IUPAC5'-(3-amino-3-oxopropyl)-7-chloro-N-(2,5-dimethoxyphenyl)-2-oxospiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)C2CC(CCC(N)=O)NC23C(=O)Nc2c(Cl)cccc23)c1
InChIInChI=1S/C23H25ClN4O5/c1-32-13-7-8-18(33-2)17(11-13)26-21(30)15-10-12(6-9-19(25)29)28-23(15)14-4-3-5-16(24)20(14)27-22(23)31/h3-5,7-8,11-12,15,28H,6,9-10H2,1-2H3,(H2,25,29)(H,26,30)(H,27,31)
InChIKeyKHEDQPSCRMUUPP-UHFFFAOYSA-N
MW472.93 g/mol
LogP2.39
Rot. Bonds7

About 5'-(3-amino-3-oxopropyl)-7-chloro-N-(2,5-dimethoxyphenyl)-2-oxospiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide

5'-(3-amino-3-oxopropyl)-7-chloro-N-(2,5-dimethoxyphenyl)-2-oxospiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide (PubChem CID 73400489) has the molecular formula C23H25ClN4O5 and a molecular weight of 472.93 g/mol. Its IUPAC name is 5'-(3-amino-3-oxopropyl)-7-chloro-N-(2,5-dimethoxyphenyl)-2-oxospiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide.

Molecular Properties

Compound Name5'-(3-amino-3-oxopropyl)-7-chloro-N-(2,5-dimethoxyphenyl)-2-oxospiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide
PubChem CID73400489
Molecular FormulaC23H25ClN4O5
Molecular Weight472.93 g/mol
Exact Mass472.15
IUPAC Name5'-(3-amino-3-oxopropyl)-7-chloro-N-(2,5-dimethoxyphenyl)-2-oxospiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)C2CC(CCC(N)=O)NC23C(=O)Nc2c(Cl)cccc23)c1
InChIInChI=1S/C23H25ClN4O5/c1-32-13-7-8-18(33-2)17(11-13)26-21(30)15-10-12(6-9-19(25)29)28-23(15)14-4-3-5-16(24)20(14)27-22(23)31/h3-5,7-8,11-12,15,28H,6,9-10H2,1-2H3,(H2,25,29)(H,26,30)(H,27,31)
InChIKeyKHEDQPSCRMUUPP-UHFFFAOYSA-N
XLogP2.39
TPSA131.78 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.93
LogP ≤ 52.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

5'-(2-amino-2-oxoethyl)-7-chloro-N-(5-chloro-2-methoxyphenyl)-2-oxospiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide
CID 73400714
(3S,3'S,5'R)-5'-(2-amino-2-oxoethyl)-7-chloro-N-(2,5-dimethoxyphenyl)-5-methyl-2-oxospiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide
CID 26885161
7-chloro-N-(5-chloro-2-methoxyphenyl)-5'-methyl-2-oxospiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide
CID 73399441
(3S,3'S,5'S)-7-chloro-N-(2,5-dimethoxyphenyl)-5-methyl-5'-(2-methylpropyl)-2-oxospiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide
CID 40920351
5-chloro-N-(2,5-dimethoxyphenyl)-5'-(2-methylsulfanylethyl)-2-oxospiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide
CID 73400198
(3R,3'R,5'S)-5'-(2-amino-2-oxoethyl)-5-bromo-N-(2,5-dimethoxyphenyl)-2-oxospiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide
CID 40915911
(3S,3'R,5'S)-N-(2,5-dimethoxyphenyl)-5-methyl-5'-(2-methylsulfanylethyl)-2-oxospiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide
CID 26913649
(3S,3'S,5'R)-N-(2,5-dimethoxyphenyl)-5-methyl-5'-(2-methylsulfanylethyl)-2-oxospiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide
CID 40893444
5-bromo-N-(2,5-dimethoxyphenyl)-5'-(2-methylsulfanylethyl)-2-oxospiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide
CID 73400160
(3S,3'R,5'R)-N-(5-chloro-2-methoxyphenyl)-5'-[(1S)-1-hydroxyethyl]-7-methyl-2-oxospiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide
CID 124826949
(3R,3'R,5'R)-N-(5-chloro-2-methoxyphenyl)-5'-[(1R)-1-hydroxyethyl]-7-methyl-2-oxospiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide
CID 51705591
(3S,3'R,5'R)-N-(5-chloro-2-methoxyphenyl)-5'-(2-methylpropyl)-2-oxospiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide
CID 26913371

Frequently Asked Questions

What is the IUPAC name of 5'-(3-amino-3-oxopropyl)-7-chloro-N-(2,5-dimethoxyphenyl)-2-oxospiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide?
The IUPAC name of 5'-(3-amino-3-oxopropyl)-7-chloro-N-(2,5-dimethoxyphenyl)-2-oxospiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide (CID 73400489) is 5'-(3-amino-3-oxopropyl)-7-chloro-N-(2,5-dimethoxyphenyl)-2-oxospiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide.
What is the SMILES notation for 5'-(3-amino-3-oxopropyl)-7-chloro-N-(2,5-dimethoxyphenyl)-2-oxospiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide?
The canonical SMILES for 5'-(3-amino-3-oxopropyl)-7-chloro-N-(2,5-dimethoxyphenyl)-2-oxospiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide is COc1ccc(OC)c(NC(=O)C2CC(CCC(N)=O)NC23C(=O)Nc2c(Cl)cccc23)c1.
What is the InChIKey of 5'-(3-amino-3-oxopropyl)-7-chloro-N-(2,5-dimethoxyphenyl)-2-oxospiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide?
The InChIKey is KHEDQPSCRMUUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O5/c1-32-13-7-8-18(33-2)17(11-13)26-21(30)15-10-12(6-9-19(25)29)28-23(15)14-4-3-5-16(24)20(14)27-22(23)31/h3-5,7-8,11-12,15,28H,6,9-10H2,1-2H3,(H2,25,29)(H,26,30)(H,27,31).
What are the key properties of 5'-(3-amino-3-oxopropyl)-7-chloro-N-(2,5-dimethoxyphenyl)-2-oxospiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide?
5'-(3-amino-3-oxopropyl)-7-chloro-N-(2,5-dimethoxyphenyl)-2-oxospiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide has a molecular weight of 472.93 g/mol, XLogP of 2.39, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-(3-amino-3-oxopropyl)-7-chloro-N-(2,5-dimethoxyphenyl)-2-oxospiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide is sourced from PubChem (CID 73400489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).