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

C26H27N5S2 — CID 146466972

IUPAC(1S)-1'-[8-(2-methylsulfanylphenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESCSc1ccccc1Sc1cnc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)n2ccnc12
InChIInChI=1S/C26H27N5S2/c1-32-20-8-4-5-9-21(20)33-22-17-29-25(31-15-12-28-24(22)31)30-13-10-26(11-14-30)16-18-6-2-3-7-19(18)23(26)27/h2-9,12,15,17,23H,10-11,13-14,16,27H2,1H3/t23-/m1/s1
InChIKeyFODXINMUBAXBFW-HSZRJFAPSA-N
MW473.67 g/mol
LogP5.45
Rot. Bonds4

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

(1S)-1'-[8-(2-methylsulfanylphenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (PubChem CID 146466972) has the molecular formula C26H27N5S2 and a molecular weight of 473.67 g/mol. Its IUPAC name is (1S)-1'-[8-(2-methylsulfanylphenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.

Molecular Properties

Compound Name(1S)-1'-[8-(2-methylsulfanylphenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
PubChem CID146466972
Molecular FormulaC26H27N5S2
Molecular Weight473.67 g/mol
Exact Mass473.17
IUPAC Name(1S)-1'-[8-(2-methylsulfanylphenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESCSc1ccccc1Sc1cnc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)n2ccnc12
InChIInChI=1S/C26H27N5S2/c1-32-20-8-4-5-9-21(20)33-22-17-29-25(31-15-12-28-24(22)31)30-13-10-26(11-14-30)16-18-6-2-3-7-19(18)23(26)27/h2-9,12,15,17,23H,10-11,13-14,16,27H2,1H3/t23-/m1/s1
InChIKeyFODXINMUBAXBFW-HSZRJFAPSA-N
XLogP5.45
TPSA59.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.67
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (1S)-1'-[8-(2-methylsulfanylphenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The IUPAC name of (1S)-1'-[8-(2-methylsulfanylphenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (CID 146466972) is (1S)-1'-[8-(2-methylsulfanylphenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.
What is the SMILES notation for (1S)-1'-[8-(2-methylsulfanylphenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The canonical SMILES for (1S)-1'-[8-(2-methylsulfanylphenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is CSc1ccccc1Sc1cnc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)n2ccnc12.
What is the InChIKey of (1S)-1'-[8-(2-methylsulfanylphenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The InChIKey is FODXINMUBAXBFW-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H27N5S2/c1-32-20-8-4-5-9-21(20)33-22-17-29-25(31-15-12-28-24(22)31)30-13-10-26(11-14-30)16-18-6-2-3-7-19(18)23(26)27/h2-9,12,15,17,23H,10-11,13-14,16,27H2,1H3/t23-/m1/s1.
What are the key properties of (1S)-1'-[8-(2-methylsulfanylphenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
(1S)-1'-[8-(2-methylsulfanylphenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine has a molecular weight of 473.67 g/mol, XLogP of 5.45, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1'-[8-(2-methylsulfanylphenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is sourced from PubChem (CID 146466972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).