1'-(8-sulfanylimidazo[1,2-c]pyrimidin-5-yl)spiro[3H-indene-2,4'-piperidine]-1-one

C19H18N4OS — CID 164832690

IUPAC1'-(8-sulfanylimidazo[1,2-c]pyrimidin-5-yl)spiro[3H-indene-2,4'-piperidine]-1-one
SMILESO=C1c2ccccc2CC12CCN(c1ncc(S)c3nccn13)CC2
InChIInChI=1S/C19H18N4OS/c24-16-14-4-2-1-3-13(14)11-19(16)5-8-22(9-6-19)18-21-12-15(25)17-20-7-10-23(17)18/h1-4,7,10,12,25H,5-6,8-9,11H2
InChIKeyIAVAFWGJTCISDJ-UHFFFAOYSA-N
MW350.45 g/mol
LogP3.04
Rot. Bonds1

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

1'-(8-sulfanylimidazo[1,2-c]pyrimidin-5-yl)spiro[3H-indene-2,4'-piperidine]-1-one (PubChem CID 164832690) has the molecular formula C19H18N4OS and a molecular weight of 350.45 g/mol. Its IUPAC name is 1'-(8-sulfanylimidazo[1,2-c]pyrimidin-5-yl)spiro[3H-indene-2,4'-piperidine]-1-one.

Molecular Properties

Compound Name1'-(8-sulfanylimidazo[1,2-c]pyrimidin-5-yl)spiro[3H-indene-2,4'-piperidine]-1-one
PubChem CID164832690
Molecular FormulaC19H18N4OS
Molecular Weight350.45 g/mol
Exact Mass350.12
IUPAC Name1'-(8-sulfanylimidazo[1,2-c]pyrimidin-5-yl)spiro[3H-indene-2,4'-piperidine]-1-one
SMILESO=C1c2ccccc2CC12CCN(c1ncc(S)c3nccn13)CC2
InChIInChI=1S/C19H18N4OS/c24-16-14-4-2-1-3-13(14)11-19(16)5-8-22(9-6-19)18-21-12-15(25)17-20-7-10-23(17)18/h1-4,7,10,12,25H,5-6,8-9,11H2
InChIKeyIAVAFWGJTCISDJ-UHFFFAOYSA-N
XLogP3.04
TPSA50.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

Imidazo[1,5-a]pyrimidin-6-yl-(2-methylphenyl)methanone
CID 122549122
1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-indene-2,4'-piperidine]-1-one
CID 146482526
1'-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)spiro[3H-indene-2,4'-piperidine]-1-one
CID 146482643
1-(7H-cyclopenta[b]pyridin-4-yl)-2-(4-imidazo[1,2-a]pyridin-2-yl-9H-fluoren-9-yl)ethanone
CID 149420449
2-Imidazo[1,2-a]pyridin-8-ylfluoren-9-one
CID 168242101
Tert-butyl-oxido-[[1'-(8-sulfanylimidazo[1,2-c]pyrimidin-5-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-3'-yl]amino]sulfanium
CID 173852449
(2E)-2-(imidazo[1,2-a]pyridin-2-ylmethylidene)-3H-inden-1-one
CID 45835191
2-(imidazo[1,2-a]pyridin-2-ylmethylidene)-3H-inden-1-one
CID 71888171
2-(Imidazo[1,2-a]pyridin-2-ylmethyl)-2,3-dihydroinden-1-one
CID 79424460
2-methyl-1'-[2-(1-methyl-1H-imidazol-2-yl)benzoyl]-5,6-dihydrospiro[cyclopenta[d]pyrimidine-7,3'-piperidine]
CID 135115875
2-(Imidazo[1,2-a]pyridin-7-yl)-1H-indene-1,3(2H)-dione
CID 168486669

Frequently Asked Questions

What is the IUPAC name of 1'-(8-sulfanylimidazo[1,2-c]pyrimidin-5-yl)spiro[3H-indene-2,4'-piperidine]-1-one?
The IUPAC name of 1'-(8-sulfanylimidazo[1,2-c]pyrimidin-5-yl)spiro[3H-indene-2,4'-piperidine]-1-one (CID 164832690) is 1'-(8-sulfanylimidazo[1,2-c]pyrimidin-5-yl)spiro[3H-indene-2,4'-piperidine]-1-one.
What is the SMILES notation for 1'-(8-sulfanylimidazo[1,2-c]pyrimidin-5-yl)spiro[3H-indene-2,4'-piperidine]-1-one?
The canonical SMILES for 1'-(8-sulfanylimidazo[1,2-c]pyrimidin-5-yl)spiro[3H-indene-2,4'-piperidine]-1-one is O=C1c2ccccc2CC12CCN(c1ncc(S)c3nccn13)CC2.
What is the InChIKey of 1'-(8-sulfanylimidazo[1,2-c]pyrimidin-5-yl)spiro[3H-indene-2,4'-piperidine]-1-one?
The InChIKey is IAVAFWGJTCISDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4OS/c24-16-14-4-2-1-3-13(14)11-19(16)5-8-22(9-6-19)18-21-12-15(25)17-20-7-10-23(17)18/h1-4,7,10,12,25H,5-6,8-9,11H2.
What are the key properties of 1'-(8-sulfanylimidazo[1,2-c]pyrimidin-5-yl)spiro[3H-indene-2,4'-piperidine]-1-one?
1'-(8-sulfanylimidazo[1,2-c]pyrimidin-5-yl)spiro[3H-indene-2,4'-piperidine]-1-one has a molecular weight of 350.45 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(8-sulfanylimidazo[1,2-c]pyrimidin-5-yl)spiro[3H-indene-2,4'-piperidine]-1-one is sourced from PubChem (CID 164832690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).