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

C26H26N4S2 — CID 146482723

IUPAC1'-[8-(2-methylsulfanylphenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]
SMILESCSc1ccccc1Sc1cnc(N2CCC3(CC2)Cc2ccccc2C3)n2ccnc12
InChIInChI=1S/C26H26N4S2/c1-31-21-8-4-5-9-22(21)32-23-18-28-25(30-15-12-27-24(23)30)29-13-10-26(11-14-29)16-19-6-2-3-7-20(19)17-26/h2-9,12,15,18H,10-11,13-14,16-17H2,1H3
InChIKeyVLMWLMSSPARJLF-UHFFFAOYSA-N
MW458.66 g/mol
LogP5.99
Rot. Bonds4

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

1'-[8-(2-methylsulfanylphenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine] (PubChem CID 146482723) has the molecular formula C26H26N4S2 and a molecular weight of 458.66 g/mol. Its IUPAC name is 1'-[8-(2-methylsulfanylphenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine].

Molecular Properties

Compound Name1'-[8-(2-methylsulfanylphenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]
PubChem CID146482723
Molecular FormulaC26H26N4S2
Molecular Weight458.66 g/mol
Exact Mass458.16
IUPAC Name1'-[8-(2-methylsulfanylphenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]
SMILESCSc1ccccc1Sc1cnc(N2CCC3(CC2)Cc2ccccc2C3)n2ccnc12
InChIInChI=1S/C26H26N4S2/c1-31-21-8-4-5-9-22(21)32-23-18-28-25(30-15-12-27-24(23)30)29-13-10-26(11-14-29)16-19-6-2-3-7-20(19)17-26/h2-9,12,15,18H,10-11,13-14,16-17H2,1H3
InChIKeyVLMWLMSSPARJLF-UHFFFAOYSA-N
XLogP5.99
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.66
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1'-[8-(2-methylsulfanylphenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]?
The IUPAC name of 1'-[8-(2-methylsulfanylphenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine] (CID 146482723) is 1'-[8-(2-methylsulfanylphenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine].
What is the SMILES notation for 1'-[8-(2-methylsulfanylphenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]?
The canonical SMILES for 1'-[8-(2-methylsulfanylphenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine] is CSc1ccccc1Sc1cnc(N2CCC3(CC2)Cc2ccccc2C3)n2ccnc12.
What is the InChIKey of 1'-[8-(2-methylsulfanylphenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]?
The InChIKey is VLMWLMSSPARJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4S2/c1-31-21-8-4-5-9-22(21)32-23-18-28-25(30-15-12-27-24(23)30)29-13-10-26(11-14-29)16-19-6-2-3-7-20(19)17-26/h2-9,12,15,18H,10-11,13-14,16-17H2,1H3.
What are the key properties of 1'-[8-(2-methylsulfanylphenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]?
1'-[8-(2-methylsulfanylphenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine] has a molecular weight of 458.66 g/mol, XLogP of 5.99, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[8-(2-methylsulfanylphenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine] is sourced from PubChem (CID 146482723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).