(3S)-5,6-dichloro-1'-(1-methyl-2-oxopyridine-4-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one

C18H15Cl2N3O3 — CID 172518716

IUPAC(3S)-5,6-dichloro-1'-(1-methyl-2-oxopyridine-4-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCn1ccc(C(=O)N2CC[C@]3(C2)C(=O)Nc2cc(Cl)c(Cl)cc23)cc1=O
InChIInChI=1S/C18H15Cl2N3O3/c1-22-4-2-10(6-15(22)24)16(25)23-5-3-18(9-23)11-7-12(19)13(20)8-14(11)21-17(18)26/h2,4,6-8H,3,5,9H2,1H3,(H,21,26)/t18-/m1/s1
InChIKeyMQFQVHVACNQXDW-GOSISDBHSA-N
MW392.24 g/mol
LogP2.43
Rot. Bonds1

About (3S)-5,6-dichloro-1'-(1-methyl-2-oxopyridine-4-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one

(3S)-5,6-dichloro-1'-(1-methyl-2-oxopyridine-4-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 172518716) has the molecular formula C18H15Cl2N3O3 and a molecular weight of 392.24 g/mol. Its IUPAC name is (3S)-5,6-dichloro-1'-(1-methyl-2-oxopyridine-4-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name(3S)-5,6-dichloro-1'-(1-methyl-2-oxopyridine-4-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID172518716
Molecular FormulaC18H15Cl2N3O3
Molecular Weight392.24 g/mol
Exact Mass391.05
IUPAC Name(3S)-5,6-dichloro-1'-(1-methyl-2-oxopyridine-4-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCn1ccc(C(=O)N2CC[C@]3(C2)C(=O)Nc2cc(Cl)c(Cl)cc23)cc1=O
InChIInChI=1S/C18H15Cl2N3O3/c1-22-4-2-10(6-15(22)24)16(25)23-5-3-18(9-23)11-7-12(19)13(20)8-14(11)21-17(18)26/h2,4,6-8H,3,5,9H2,1H3,(H,21,26)/t18-/m1/s1
InChIKeyMQFQVHVACNQXDW-GOSISDBHSA-N
XLogP2.43
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.24
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-5,6-dichloro-1'-[(2S)-2-hydroxypropanoyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 167203196
5,6-dichloro-1'-[2-(dimethylamino)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 167203094
1'-(3-chlorobenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 53176932
(3S)-5,6-dichloro-1'-[(2R)-2,3-dihydroxypropanoyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 167202958
1'-(3-chlorobenzoyl)-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 53177037
(3S)-5,6-dichloro-1'-[(1S,3S,4S)-3,4-dihydroxycyclohexanecarbonyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 167203391
1'-(3,4-dichlorobenzoyl)-2-oxospiro[1H-indole-3,4'-piperidine]-5-carbonitrile
CID 67280064
4-(3-amino-3-cyclopropylazetidine-1-carbonyl)-1-methylpyridin-2-one
CID 114039965
(3S)-5-methoxy-1'-(4-methylbenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 95103698
(3S)-1'-(4-fluorobenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 95103577
4-(7,7-dimethyl-1,4-thiazepane-4-carbonyl)-1-methylpyridin-2-one
CID 107300658
4-(6,8-dichloro-3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-methylpyridin-2-one
CID 71859373

Frequently Asked Questions

What is the IUPAC name of (3S)-5,6-dichloro-1'-(1-methyl-2-oxopyridine-4-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of (3S)-5,6-dichloro-1'-(1-methyl-2-oxopyridine-4-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 172518716) is (3S)-5,6-dichloro-1'-(1-methyl-2-oxopyridine-4-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for (3S)-5,6-dichloro-1'-(1-methyl-2-oxopyridine-4-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for (3S)-5,6-dichloro-1'-(1-methyl-2-oxopyridine-4-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one is Cn1ccc(C(=O)N2CC[C@]3(C2)C(=O)Nc2cc(Cl)c(Cl)cc23)cc1=O.
What is the InChIKey of (3S)-5,6-dichloro-1'-(1-methyl-2-oxopyridine-4-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is MQFQVHVACNQXDW-GOSISDBHSA-N. The full InChI is InChI=1S/C18H15Cl2N3O3/c1-22-4-2-10(6-15(22)24)16(25)23-5-3-18(9-23)11-7-12(19)13(20)8-14(11)21-17(18)26/h2,4,6-8H,3,5,9H2,1H3,(H,21,26)/t18-/m1/s1.
What are the key properties of (3S)-5,6-dichloro-1'-(1-methyl-2-oxopyridine-4-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
(3S)-5,6-dichloro-1'-(1-methyl-2-oxopyridine-4-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 392.24 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5,6-dichloro-1'-(1-methyl-2-oxopyridine-4-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 172518716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).