4-[5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]sulfanyl-3-chloro-1-methylpyridin-2-one

C23H24ClN5OS — CID 147234082

IUPAC4-[5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]sulfanyl-3-chloro-1-methylpyridin-2-one
SMILESCn1ccc(Sc2cnc(N3CCC4(CC3)Cc3ccccc3[C@H]4N)cn2)c(Cl)c1=O
InChIInChI=1S/C23H24ClN5OS/c1-28-9-6-17(20(24)22(28)30)31-19-14-26-18(13-27-19)29-10-7-23(8-11-29)12-15-4-2-3-5-16(15)21(23)25/h2-6,9,13-14,21H,7-8,10-12,25H2,1H3/t21-/m1/s1
InChIKeyCJLYXCYXXICCGL-OAQYLSRUSA-N
MW454.00 g/mol
LogP3.82
Rot. Bonds3

About 4-[5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]sulfanyl-3-chloro-1-methylpyridin-2-one

4-[5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]sulfanyl-3-chloro-1-methylpyridin-2-one (PubChem CID 147234082) has the molecular formula C23H24ClN5OS and a molecular weight of 454.00 g/mol. Its IUPAC name is 4-[5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]sulfanyl-3-chloro-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-[5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]sulfanyl-3-chloro-1-methylpyridin-2-one
PubChem CID147234082
Molecular FormulaC23H24ClN5OS
Molecular Weight454.00 g/mol
Exact Mass453.14
IUPAC Name4-[5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]sulfanyl-3-chloro-1-methylpyridin-2-one
SMILESCn1ccc(Sc2cnc(N3CCC4(CC3)Cc3ccccc3[C@H]4N)cn2)c(Cl)c1=O
InChIInChI=1S/C23H24ClN5OS/c1-28-9-6-17(20(24)22(28)30)31-19-14-26-18(13-27-19)29-10-7-23(8-11-29)12-15-4-2-3-5-16(15)21(23)25/h2-6,9,13-14,21H,7-8,10-12,25H2,1H3/t21-/m1/s1
InChIKeyCJLYXCYXXICCGL-OAQYLSRUSA-N
XLogP3.82
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.00
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]sulfanyl-3-chloro-1-methylpyridin-2-one?
The IUPAC name of 4-[5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]sulfanyl-3-chloro-1-methylpyridin-2-one (CID 147234082) is 4-[5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]sulfanyl-3-chloro-1-methylpyridin-2-one.
What is the SMILES notation for 4-[5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]sulfanyl-3-chloro-1-methylpyridin-2-one?
The canonical SMILES for 4-[5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]sulfanyl-3-chloro-1-methylpyridin-2-one is Cn1ccc(Sc2cnc(N3CCC4(CC3)Cc3ccccc3[C@H]4N)cn2)c(Cl)c1=O.
What is the InChIKey of 4-[5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]sulfanyl-3-chloro-1-methylpyridin-2-one?
The InChIKey is CJLYXCYXXICCGL-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H24ClN5OS/c1-28-9-6-17(20(24)22(28)30)31-19-14-26-18(13-27-19)29-10-7-23(8-11-29)12-15-4-2-3-5-16(15)21(23)25/h2-6,9,13-14,21H,7-8,10-12,25H2,1H3/t21-/m1/s1.
What are the key properties of 4-[5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]sulfanyl-3-chloro-1-methylpyridin-2-one?
4-[5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]sulfanyl-3-chloro-1-methylpyridin-2-one has a molecular weight of 454.00 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]sulfanyl-3-chloro-1-methylpyridin-2-one is sourced from PubChem (CID 147234082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).