1'-[[7-chloro-4-(3-methylsulfonylpropyl)naphthalen-2-yl]methyl]spiro[piperidine-4,3'-pyrrolo[2,3-c]pyridine]-2'-one

C26H28ClN3O3S — CID 123722612

IUPAC1'-[[7-chloro-4-(3-methylsulfonylpropyl)naphthalen-2-yl]methyl]spiro[piperidine-4,3'-pyrrolo[2,3-c]pyridine]-2'-one
SMILESCS(=O)(=O)CCCc1cc(CN2C(=O)C3(CCNCC3)c3ccncc32)cc2cc(Cl)ccc12
InChIInChI=1S/C26H28ClN3O3S/c1-34(32,33)12-2-3-19-13-18(14-20-15-21(27)4-5-22(19)20)17-30-24-16-29-9-6-23(24)26(25(30)31)7-10-28-11-8-26/h4-6,9,13-16,28H,2-3,7-8,10-12,17H2,1H3
InChIKeyUAXVTIRBMYFUFZ-UHFFFAOYSA-N
MW498.05 g/mol
LogP4.03
Rot. Bonds6

About 1'-[[7-chloro-4-(3-methylsulfonylpropyl)naphthalen-2-yl]methyl]spiro[piperidine-4,3'-pyrrolo[2,3-c]pyridine]-2'-one

1'-[[7-chloro-4-(3-methylsulfonylpropyl)naphthalen-2-yl]methyl]spiro[piperidine-4,3'-pyrrolo[2,3-c]pyridine]-2'-one (PubChem CID 123722612) has the molecular formula C26H28ClN3O3S and a molecular weight of 498.05 g/mol. Its IUPAC name is 1'-[[7-chloro-4-(3-methylsulfonylpropyl)naphthalen-2-yl]methyl]spiro[piperidine-4,3'-pyrrolo[2,3-c]pyridine]-2'-one.

Molecular Properties

Compound Name1'-[[7-chloro-4-(3-methylsulfonylpropyl)naphthalen-2-yl]methyl]spiro[piperidine-4,3'-pyrrolo[2,3-c]pyridine]-2'-one
PubChem CID123722612
Molecular FormulaC26H28ClN3O3S
Molecular Weight498.05 g/mol
Exact Mass497.15
IUPAC Name1'-[[7-chloro-4-(3-methylsulfonylpropyl)naphthalen-2-yl]methyl]spiro[piperidine-4,3'-pyrrolo[2,3-c]pyridine]-2'-one
SMILESCS(=O)(=O)CCCc1cc(CN2C(=O)C3(CCNCC3)c3ccncc32)cc2cc(Cl)ccc12
InChIInChI=1S/C26H28ClN3O3S/c1-34(32,33)12-2-3-19-13-18(14-20-15-21(27)4-5-22(19)20)17-30-24-16-29-9-6-23(24)26(25(30)31)7-10-28-11-8-26/h4-6,9,13-16,28H,2-3,7-8,10-12,17H2,1H3
InChIKeyUAXVTIRBMYFUFZ-UHFFFAOYSA-N
XLogP4.03
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.05
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1'-[[5-chloro-1-(4-methylsulfonylbutyl)indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one
CID 86293481
1'-[[5-chloro-1-(4-methylsulfonylbutyl)pyrrolo[2,3-b]pyridin-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one
CID 118915050
1'-[[5-chloro-7-fluoro-1-(2-methylsulfonylethyl)indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one
CID 86293098
1'-[[5-chloro-1-[3-(methylsulfonimidoyl)propyl]pyrrolo[2,3-b]pyridin-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one
CID 86291948
tert-butyl 1'-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-2'-oxospiro[piperidine-4,3'-pyrrolo[2,3-c]pyridine]-1-carboxylate
CID 90131619
1'-[(5-chloro-1-hept-6-en-4-ynylbenzimidazol-2-yl)methyl]spiro[piperidine-4,3'-pyrrolo[2,3-c]pyridine]-2'-one
CID 134286975
1'-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-1-quinoxalin-6-ylsulfonylspiro[piperidine-4,3'-pyrrolo[2,3-c]pyridine]-2'-one
CID 90131521
1'-[[5-chloro-1-(3-methylsulfinylpropyl)indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one
CID 86294229
1'-[[5-chloro-1-[2-[(1,1-dioxo-1,2-thiazolidin-2-yl)sulfonyl]ethyl]indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one
CID 86294043
4-[3-[5-chloro-2-[(2'-oxospiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-1'-yl)methyl]indol-1-yl]propylsulfonyl]piperazine-1-carboxylic acid
CID 118915051
6-methoxy-1-[(4-methoxyphenyl)methyl]spiro[indole-3,4'-piperidine]-2-one
CID 15982400
CID 144745126
CID 144745126

Frequently Asked Questions

What is the IUPAC name of 1'-[[7-chloro-4-(3-methylsulfonylpropyl)naphthalen-2-yl]methyl]spiro[piperidine-4,3'-pyrrolo[2,3-c]pyridine]-2'-one?
The IUPAC name of 1'-[[7-chloro-4-(3-methylsulfonylpropyl)naphthalen-2-yl]methyl]spiro[piperidine-4,3'-pyrrolo[2,3-c]pyridine]-2'-one (CID 123722612) is 1'-[[7-chloro-4-(3-methylsulfonylpropyl)naphthalen-2-yl]methyl]spiro[piperidine-4,3'-pyrrolo[2,3-c]pyridine]-2'-one.
What is the SMILES notation for 1'-[[7-chloro-4-(3-methylsulfonylpropyl)naphthalen-2-yl]methyl]spiro[piperidine-4,3'-pyrrolo[2,3-c]pyridine]-2'-one?
The canonical SMILES for 1'-[[7-chloro-4-(3-methylsulfonylpropyl)naphthalen-2-yl]methyl]spiro[piperidine-4,3'-pyrrolo[2,3-c]pyridine]-2'-one is CS(=O)(=O)CCCc1cc(CN2C(=O)C3(CCNCC3)c3ccncc32)cc2cc(Cl)ccc12.
What is the InChIKey of 1'-[[7-chloro-4-(3-methylsulfonylpropyl)naphthalen-2-yl]methyl]spiro[piperidine-4,3'-pyrrolo[2,3-c]pyridine]-2'-one?
The InChIKey is UAXVTIRBMYFUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN3O3S/c1-34(32,33)12-2-3-19-13-18(14-20-15-21(27)4-5-22(19)20)17-30-24-16-29-9-6-23(24)26(25(30)31)7-10-28-11-8-26/h4-6,9,13-16,28H,2-3,7-8,10-12,17H2,1H3.
What are the key properties of 1'-[[7-chloro-4-(3-methylsulfonylpropyl)naphthalen-2-yl]methyl]spiro[piperidine-4,3'-pyrrolo[2,3-c]pyridine]-2'-one?
1'-[[7-chloro-4-(3-methylsulfonylpropyl)naphthalen-2-yl]methyl]spiro[piperidine-4,3'-pyrrolo[2,3-c]pyridine]-2'-one has a molecular weight of 498.05 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[[7-chloro-4-(3-methylsulfonylpropyl)naphthalen-2-yl]methyl]spiro[piperidine-4,3'-pyrrolo[2,3-c]pyridine]-2'-one is sourced from PubChem (CID 123722612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).