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

C25H22Cl2N4S — CID 146482668

IUPAC1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]
SMILESClc1cccc(Sc2cnc(N3CCC4(CC3)Cc3ccccc3C4)n3ccnc23)c1Cl
InChIInChI=1S/C25H22Cl2N4S/c26-19-6-3-7-20(22(19)27)32-21-16-29-24(31-13-10-28-23(21)31)30-11-8-25(9-12-30)14-17-4-1-2-5-18(17)15-25/h1-7,10,13,16H,8-9,11-12,14-15H2
InChIKeyUFJVEHGMKRKSEE-UHFFFAOYSA-N
MW481.45 g/mol
LogP6.57
Rot. Bonds3

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

1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine] (PubChem CID 146482668) has the molecular formula C25H22Cl2N4S and a molecular weight of 481.45 g/mol. Its IUPAC name is 1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine].

Molecular Properties

Compound Name1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]
PubChem CID146482668
Molecular FormulaC25H22Cl2N4S
Molecular Weight481.45 g/mol
Exact Mass480.09
IUPAC Name1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]
SMILESClc1cccc(Sc2cnc(N3CCC4(CC3)Cc3ccccc3C4)n3ccnc23)c1Cl
InChIInChI=1S/C25H22Cl2N4S/c26-19-6-3-7-20(22(19)27)32-21-16-29-24(31-13-10-28-23(21)31)30-11-8-25(9-12-30)14-17-4-1-2-5-18(17)15-25/h1-7,10,13,16H,8-9,11-12,14-15H2
InChIKeyUFJVEHGMKRKSEE-UHFFFAOYSA-N
XLogP6.57
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.45
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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[1,3-dihydroindene-2,4'-piperidine]?
The IUPAC name of 1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine] (CID 146482668) is 1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine].
What is the SMILES notation for 1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]?
The canonical SMILES for 1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine] is Clc1cccc(Sc2cnc(N3CCC4(CC3)Cc3ccccc3C4)n3ccnc23)c1Cl.
What is the InChIKey of 1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]?
The InChIKey is UFJVEHGMKRKSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22Cl2N4S/c26-19-6-3-7-20(22(19)27)32-21-16-29-24(31-13-10-28-23(21)31)30-11-8-25(9-12-30)14-17-4-1-2-5-18(17)15-25/h1-7,10,13,16H,8-9,11-12,14-15H2.
What are the key properties of 1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]?
1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine] has a molecular weight of 481.45 g/mol, XLogP of 6.57, 3 rotatable bonds, 0 hydrogen bond donors, and 5 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[1,3-dihydroindene-2,4'-piperidine] is sourced from PubChem (CID 146482668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).