(1S)-1'-(8-quinolin-4-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine

C28H26N6S — CID 146466861

IUPAC(1S)-1'-(8-quinolin-4-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESN[C@@H]1c2ccccc2CC12CCN(c1ncc(Sc3ccnc4ccccc34)c3nccn13)CC2
InChIInChI=1S/C28H26N6S/c29-25-20-6-2-1-5-19(20)17-28(25)10-14-33(15-11-28)27-32-18-24(26-31-13-16-34(26)27)35-23-9-12-30-22-8-4-3-7-21(22)23/h1-9,12-13,16,18,25H,10-11,14-15,17,29H2/t25-/m1/s1
InChIKeyXOCQOAIUBPEPLJ-RUZDIDTESA-N
MW478.63 g/mol
LogP5.27
Rot. Bonds3

About (1S)-1'-(8-quinolin-4-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine

(1S)-1'-(8-quinolin-4-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (PubChem CID 146466861) has the molecular formula C28H26N6S and a molecular weight of 478.63 g/mol. Its IUPAC name is (1S)-1'-(8-quinolin-4-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.

Molecular Properties

Compound Name(1S)-1'-(8-quinolin-4-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
PubChem CID146466861
Molecular FormulaC28H26N6S
Molecular Weight478.63 g/mol
Exact Mass478.19
IUPAC Name(1S)-1'-(8-quinolin-4-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESN[C@@H]1c2ccccc2CC12CCN(c1ncc(Sc3ccnc4ccccc34)c3nccn13)CC2
InChIInChI=1S/C28H26N6S/c29-25-20-6-2-1-5-19(20)17-28(25)10-14-33(15-11-28)27-32-18-24(26-31-13-16-34(26)27)35-23-9-12-30-22-8-4-3-7-21(22)23/h1-9,12-13,16,18,25H,10-11,14-15,17,29H2/t25-/m1/s1
InChIKeyXOCQOAIUBPEPLJ-RUZDIDTESA-N
XLogP5.27
TPSA72.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.63
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (1S)-1'-(8-quinolin-4-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The IUPAC name of (1S)-1'-(8-quinolin-4-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (CID 146466861) is (1S)-1'-(8-quinolin-4-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.
What is the SMILES notation for (1S)-1'-(8-quinolin-4-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The canonical SMILES for (1S)-1'-(8-quinolin-4-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is N[C@@H]1c2ccccc2CC12CCN(c1ncc(Sc3ccnc4ccccc34)c3nccn13)CC2.
What is the InChIKey of (1S)-1'-(8-quinolin-4-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The InChIKey is XOCQOAIUBPEPLJ-RUZDIDTESA-N. The full InChI is InChI=1S/C28H26N6S/c29-25-20-6-2-1-5-19(20)17-28(25)10-14-33(15-11-28)27-32-18-24(26-31-13-16-34(26)27)35-23-9-12-30-22-8-4-3-7-21(22)23/h1-9,12-13,16,18,25H,10-11,14-15,17,29H2/t25-/m1/s1.
What are the key properties of (1S)-1'-(8-quinolin-4-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
(1S)-1'-(8-quinolin-4-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine has a molecular weight of 478.63 g/mol, XLogP of 5.27, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1'-(8-quinolin-4-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is sourced from PubChem (CID 146466861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).