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

C25H23Cl2N5S — CID 146466921

IUPAC1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-amine
SMILESNC1Cc2ccccc2C12CCN(c1ncc(Sc3cccc(Cl)c3Cl)c3nccn13)CC2
InChIInChI=1S/C25H23Cl2N5S/c26-18-6-3-7-19(22(18)27)33-20-15-30-24(32-13-10-29-23(20)32)31-11-8-25(9-12-31)17-5-2-1-4-16(17)14-21(25)28/h1-7,10,13,15,21H,8-9,11-12,14,28H2
InChIKeyAHJCFBJXLWLIHD-UHFFFAOYSA-N
MW496.47 g/mol
LogP5.61
Rot. Bonds3

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

1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-amine (PubChem CID 146466921) has the molecular formula C25H23Cl2N5S and a molecular weight of 496.47 g/mol. Its IUPAC name is 1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-amine.

Molecular Properties

Compound Name1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-amine
PubChem CID146466921
Molecular FormulaC25H23Cl2N5S
Molecular Weight496.47 g/mol
Exact Mass495.11
IUPAC Name1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-amine
SMILESNC1Cc2ccccc2C12CCN(c1ncc(Sc3cccc(Cl)c3Cl)c3nccn13)CC2
InChIInChI=1S/C25H23Cl2N5S/c26-18-6-3-7-19(22(18)27)33-20-15-30-24(32-13-10-29-23(20)32)31-11-8-25(9-12-31)17-5-2-1-4-16(17)14-21(25)28/h1-7,10,13,15,21H,8-9,11-12,14,28H2
InChIKeyAHJCFBJXLWLIHD-UHFFFAOYSA-N
XLogP5.61
TPSA59.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.47
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-amine?
The IUPAC name of 1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-amine (CID 146466921) is 1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-amine.
What is the SMILES notation for 1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-amine?
The canonical SMILES for 1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-amine is NC1Cc2ccccc2C12CCN(c1ncc(Sc3cccc(Cl)c3Cl)c3nccn13)CC2.
What is the InChIKey of 1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-amine?
The InChIKey is AHJCFBJXLWLIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23Cl2N5S/c26-18-6-3-7-19(22(18)27)33-20-15-30-24(32-13-10-29-23(20)32)31-11-8-25(9-12-31)17-5-2-1-4-16(17)14-21(25)28/h1-7,10,13,15,21H,8-9,11-12,14,28H2.
What are the key properties of 1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-amine?
1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-amine has a molecular weight of 496.47 g/mol, XLogP of 5.61, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-amine is sourced from PubChem (CID 146466921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).