1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]

C24H21Cl2N5S — CID 146482547

IUPAC1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]
SMILESClc1cccc(Sc2cnc(N3CCC4(CC3)Cc3cccnc3C4)n3ccnc23)c1Cl
InChIInChI=1S/C24H21Cl2N5S/c25-17-4-1-5-19(21(17)26)32-20-15-29-23(31-12-9-28-22(20)31)30-10-6-24(7-11-30)13-16-3-2-8-27-18(16)14-24/h1-5,8-9,12,15H,6-7,10-11,13-14H2
InChIKeyZQYKDAYSDFDFLH-UHFFFAOYSA-N
MW482.44 g/mol
LogP5.97
Rot. Bonds3

About 1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]

1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine] (PubChem CID 146482547) has the molecular formula C24H21Cl2N5S and a molecular weight of 482.44 g/mol. Its IUPAC name is 1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine].

Molecular Properties

Compound Name1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]
PubChem CID146482547
Molecular FormulaC24H21Cl2N5S
Molecular Weight482.44 g/mol
Exact Mass481.09
IUPAC Name1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]
SMILESClc1cccc(Sc2cnc(N3CCC4(CC3)Cc3cccnc3C4)n3ccnc23)c1Cl
InChIInChI=1S/C24H21Cl2N5S/c25-17-4-1-5-19(21(17)26)32-20-15-29-23(31-12-9-28-22(20)31)30-10-6-24(7-11-30)13-16-3-2-8-27-18(16)14-24/h1-5,8-9,12,15H,6-7,10-11,13-14H2
InChIKeyZQYKDAYSDFDFLH-UHFFFAOYSA-N
XLogP5.97
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.44
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine] with MolForge

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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[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]?
The IUPAC name of 1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine] (CID 146482547) is 1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine].
What is the SMILES notation for 1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]?
The canonical SMILES for 1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine] is Clc1cccc(Sc2cnc(N3CCC4(CC3)Cc3cccnc3C4)n3ccnc23)c1Cl.
What is the InChIKey of 1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]?
The InChIKey is ZQYKDAYSDFDFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl2N5S/c25-17-4-1-5-19(21(17)26)32-20-15-29-23(31-12-9-28-22(20)31)30-10-6-24(7-11-30)13-16-3-2-8-27-18(16)14-24/h1-5,8-9,12,15H,6-7,10-11,13-14H2.
What are the key properties of 1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]?
1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine] has a molecular weight of 482.44 g/mol, XLogP of 5.97, 3 rotatable bonds, 0 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[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine] is sourced from PubChem (CID 146482547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).