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(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)-spiro[indene-1,4'-piperidine]-1'-ylmethanone

C20H17BrN4O — CID 151278351

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)-spiro[indene-1,4'-piperidine]-1'-ylmethanone
SMILESO=C(c1cnc2c(Br)cnn2c1)N1CCC2(C=Cc3ccccc32)CC1
InChIInChI=1S/C20H17BrN4O/c21-17-12-23-25-13-15(11-22-18(17)25)19(26)24-9-7-20(8-10-24)6-5-14-3-1-2-4-16(14)20/h1-6,11-13H,7-10H2
InChIKeyNXVJGQFCORICLI-UHFFFAOYSA-N
MW409.29 g/mol
LogP3.69
Rot. Bonds1

About (3-bromopyrazolo[1,5-a]pyrimidin-6-yl)-spiro[indene-1,4'-piperidine]-1'-ylmethanone

(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)-spiro[indene-1,4'-piperidine]-1'-ylmethanone (PubChem CID 151278351) has the molecular formula C20H17BrN4O and a molecular weight of 409.29 g/mol. Its IUPAC name is (3-bromopyrazolo[1,5-a]pyrimidin-6-yl)-spiro[indene-1,4'-piperidine]-1'-ylmethanone.

Molecular Properties

Compound Name(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)-spiro[indene-1,4'-piperidine]-1'-ylmethanone
PubChem CID151278351
Molecular FormulaC20H17BrN4O
Molecular Weight409.29 g/mol
Exact Mass408.06
IUPAC Name(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)-spiro[indene-1,4'-piperidine]-1'-ylmethanone
SMILESO=C(c1cnc2c(Br)cnn2c1)N1CCC2(C=Cc3ccccc32)CC1
InChIInChI=1S/C20H17BrN4O/c21-17-12-23-25-13-15(11-22-18(17)25)19(26)24-9-7-20(8-10-24)6-5-14-3-1-2-4-16(14)20/h1-6,11-13H,7-10H2
InChIKeyNXVJGQFCORICLI-UHFFFAOYSA-N
XLogP3.69
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.29
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-bromopyrazolo[1,5-a]pyrimidin-6-yl)-spiro[indene-1,4'-piperidine]-1'-ylmethanone?
The IUPAC name of (3-bromopyrazolo[1,5-a]pyrimidin-6-yl)-spiro[indene-1,4'-piperidine]-1'-ylmethanone (CID 151278351) is (3-bromopyrazolo[1,5-a]pyrimidin-6-yl)-spiro[indene-1,4'-piperidine]-1'-ylmethanone.
What is the SMILES notation for (3-bromopyrazolo[1,5-a]pyrimidin-6-yl)-spiro[indene-1,4'-piperidine]-1'-ylmethanone?
The canonical SMILES for (3-bromopyrazolo[1,5-a]pyrimidin-6-yl)-spiro[indene-1,4'-piperidine]-1'-ylmethanone is O=C(c1cnc2c(Br)cnn2c1)N1CCC2(C=Cc3ccccc32)CC1.
What is the InChIKey of (3-bromopyrazolo[1,5-a]pyrimidin-6-yl)-spiro[indene-1,4'-piperidine]-1'-ylmethanone?
The InChIKey is NXVJGQFCORICLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN4O/c21-17-12-23-25-13-15(11-22-18(17)25)19(26)24-9-7-20(8-10-24)6-5-14-3-1-2-4-16(14)20/h1-6,11-13H,7-10H2.
What are the key properties of (3-bromopyrazolo[1,5-a]pyrimidin-6-yl)-spiro[indene-1,4'-piperidine]-1'-ylmethanone?
(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)-spiro[indene-1,4'-piperidine]-1'-ylmethanone has a molecular weight of 409.29 g/mol, XLogP of 3.69, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromopyrazolo[1,5-a]pyrimidin-6-yl)-spiro[indene-1,4'-piperidine]-1'-ylmethanone is sourced from PubChem (CID 151278351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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