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

C19H17BrN4O — CID 146482643

IUPAC1'-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)spiro[3H-indene-2,4'-piperidine]-1-one
SMILESO=C1c2ccccc2CC12CCN(c1ncc(Br)c3nccn13)CC2
InChIInChI=1S/C19H17BrN4O/c20-15-12-22-18(24-10-7-21-17(15)24)23-8-5-19(6-9-23)11-13-3-1-2-4-14(13)16(19)25/h1-4,7,10,12H,5-6,8-9,11H2
InChIKeyJXKBDSVAIWLKNZ-UHFFFAOYSA-N
MW397.28 g/mol
LogP3.52
Rot. Bonds1

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

1'-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)spiro[3H-indene-2,4'-piperidine]-1-one (PubChem CID 146482643) has the molecular formula C19H17BrN4O and a molecular weight of 397.28 g/mol. Its IUPAC name is 1'-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)spiro[3H-indene-2,4'-piperidine]-1-one.

Molecular Properties

Compound Name1'-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)spiro[3H-indene-2,4'-piperidine]-1-one
PubChem CID146482643
Molecular FormulaC19H17BrN4O
Molecular Weight397.28 g/mol
Exact Mass396.06
IUPAC Name1'-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)spiro[3H-indene-2,4'-piperidine]-1-one
SMILESO=C1c2ccccc2CC12CCN(c1ncc(Br)c3nccn13)CC2
InChIInChI=1S/C19H17BrN4O/c20-15-12-22-18(24-10-7-21-17(15)24)23-8-5-19(6-9-23)11-13-3-1-2-4-14(13)16(19)25/h1-4,7,10,12H,5-6,8-9,11H2
InChIKeyJXKBDSVAIWLKNZ-UHFFFAOYSA-N
XLogP3.52
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.28
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1'-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)spiro[3H-indene-2,4'-piperidine]-1-one?
The IUPAC name of 1'-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)spiro[3H-indene-2,4'-piperidine]-1-one (CID 146482643) is 1'-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)spiro[3H-indene-2,4'-piperidine]-1-one.
What is the SMILES notation for 1'-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)spiro[3H-indene-2,4'-piperidine]-1-one?
The canonical SMILES for 1'-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)spiro[3H-indene-2,4'-piperidine]-1-one is O=C1c2ccccc2CC12CCN(c1ncc(Br)c3nccn13)CC2.
What is the InChIKey of 1'-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)spiro[3H-indene-2,4'-piperidine]-1-one?
The InChIKey is JXKBDSVAIWLKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN4O/c20-15-12-22-18(24-10-7-21-17(15)24)23-8-5-19(6-9-23)11-13-3-1-2-4-14(13)16(19)25/h1-4,7,10,12H,5-6,8-9,11H2.
What are the key properties of 1'-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)spiro[3H-indene-2,4'-piperidine]-1-one?
1'-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)spiro[3H-indene-2,4'-piperidine]-1-one has a molecular weight of 397.28 g/mol, XLogP of 3.52, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)spiro[3H-indene-2,4'-piperidine]-1-one is sourced from PubChem (CID 146482643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).