[5-(4-fluorophenyl)sulfanylspiro[2H-indole-3,4'-piperidine]-1-yl]-(2-methyl-4-pyridinyl)methanone

C25H24FN3OS — CID 71250298

IUPAC[5-(4-fluorophenyl)sulfanylspiro[2H-indole-3,4'-piperidine]-1-yl]-(2-methyl-4-pyridinyl)methanone
SMILESCc1cc(C(=O)N2CC3(CCNCC3)c3cc(Sc4ccc(F)cc4)ccc32)ccn1
InChIInChI=1S/C25H24FN3OS/c1-17-14-18(8-11-28-17)24(30)29-16-25(9-12-27-13-10-25)22-15-21(6-7-23(22)29)31-20-4-2-19(26)3-5-20/h2-8,11,14-15,27H,9-10,12-13,16H2,1H3
InChIKeyRHJNRRIQUAGSAR-UHFFFAOYSA-N
MW433.55 g/mol
LogP4.96
Rot. Bonds3

About [5-(4-fluorophenyl)sulfanylspiro[2H-indole-3,4'-piperidine]-1-yl]-(2-methyl-4-pyridinyl)methanone

[5-(4-fluorophenyl)sulfanylspiro[2H-indole-3,4'-piperidine]-1-yl]-(2-methyl-4-pyridinyl)methanone (PubChem CID 71250298) has the molecular formula C25H24FN3OS and a molecular weight of 433.55 g/mol. Its IUPAC name is [5-(4-fluorophenyl)sulfanylspiro[2H-indole-3,4'-piperidine]-1-yl]-(2-methyl-4-pyridinyl)methanone.

Molecular Properties

Compound Name[5-(4-fluorophenyl)sulfanylspiro[2H-indole-3,4'-piperidine]-1-yl]-(2-methyl-4-pyridinyl)methanone
PubChem CID71250298
Molecular FormulaC25H24FN3OS
Molecular Weight433.55 g/mol
Exact Mass433.16
IUPAC Name[5-(4-fluorophenyl)sulfanylspiro[2H-indole-3,4'-piperidine]-1-yl]-(2-methyl-4-pyridinyl)methanone
SMILESCc1cc(C(=O)N2CC3(CCNCC3)c3cc(Sc4ccc(F)cc4)ccc32)ccn1
InChIInChI=1S/C25H24FN3OS/c1-17-14-18(8-11-28-17)24(30)29-16-25(9-12-27-13-10-25)22-15-21(6-7-23(22)29)31-20-4-2-19(26)3-5-20/h2-8,11,14-15,27H,9-10,12-13,16H2,1H3
InChIKeyRHJNRRIQUAGSAR-UHFFFAOYSA-N
XLogP4.96
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)sulfanylspiro[2H-indole-3,4'-piperidine]-1-yl]-(2-methyl-4-pyridinyl)methanone?
The IUPAC name of [5-(4-fluorophenyl)sulfanylspiro[2H-indole-3,4'-piperidine]-1-yl]-(2-methyl-4-pyridinyl)methanone (CID 71250298) is [5-(4-fluorophenyl)sulfanylspiro[2H-indole-3,4'-piperidine]-1-yl]-(2-methyl-4-pyridinyl)methanone.
What is the SMILES notation for [5-(4-fluorophenyl)sulfanylspiro[2H-indole-3,4'-piperidine]-1-yl]-(2-methyl-4-pyridinyl)methanone?
The canonical SMILES for [5-(4-fluorophenyl)sulfanylspiro[2H-indole-3,4'-piperidine]-1-yl]-(2-methyl-4-pyridinyl)methanone is Cc1cc(C(=O)N2CC3(CCNCC3)c3cc(Sc4ccc(F)cc4)ccc32)ccn1.
What is the InChIKey of [5-(4-fluorophenyl)sulfanylspiro[2H-indole-3,4'-piperidine]-1-yl]-(2-methyl-4-pyridinyl)methanone?
The InChIKey is RHJNRRIQUAGSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3OS/c1-17-14-18(8-11-28-17)24(30)29-16-25(9-12-27-13-10-25)22-15-21(6-7-23(22)29)31-20-4-2-19(26)3-5-20/h2-8,11,14-15,27H,9-10,12-13,16H2,1H3.
What are the key properties of [5-(4-fluorophenyl)sulfanylspiro[2H-indole-3,4'-piperidine]-1-yl]-(2-methyl-4-pyridinyl)methanone?
[5-(4-fluorophenyl)sulfanylspiro[2H-indole-3,4'-piperidine]-1-yl]-(2-methyl-4-pyridinyl)methanone has a molecular weight of 433.55 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenyl)sulfanylspiro[2H-indole-3,4'-piperidine]-1-yl]-(2-methyl-4-pyridinyl)methanone is sourced from PubChem (CID 71250298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).