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

C20H17BrN4O — CID 151278351

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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Related Compounds

3H-benzimidazol-5-yl(spiro[indene-1,4'-piperidine]-1'-yl)methanone
CID 11580728
[1-(2-hydroxyethyl)-5-methylpyrazol-4-yl]-spiro[indene-1,4'-piperidine]-1'-ylmethanone
CID 166368124
2,2-dimethyl-1-spiro[indene-1,4'-piperidine]-1'-ylpropan-1-one
CID 21307058
(2,3-dichlorophenyl)-spiro[indene-1,4'-piperidine]-1'-ylmethanone
CID 25024516
(5-chloro-1H-indazol-7-yl)-spiro[indene-1,4'-piperidine]-1'-ylmethanone
CID 25024712
(3-methyl-1-propylpyrazol-4-yl)-spiro[indene-1,4'-piperidine]-1'-ylmethanone
CID 72903177
7-(4-fluoro-2-methylanilino)-6-(spiro[indene-1,4'-piperidine]-1'-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 67540926
[4-(pyrrolidin-3-ylmethyl)phenyl]-spiro[indene-1,4'-piperidine]-1'-ylmethanone
CID 166623084
spiro[indene-1,4'-piperidine]-1'-yl(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methanone
CID 119072765
N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]spiro[indene-1,4'-piperidine]-1'-carboxamide
CID 125440620
(E)-N-hydroxy-3-[6-[(E)-3-oxo-3-spiro[indene-1,4'-piperidine]-1'-ylprop-1-enyl]-2-pyridinyl]prop-2-enamide;hydrochloride
CID 44553982
2-(2-iodophenoxy)-1-spiro[indene-1,4'-piperidine]-1'-ylethanone
CID 44611595

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).