(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone

C18H17BrFN5O — CID 19581278

IUPAC(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
SMILESO=C(c1cc2ncc(Br)cn2n1)N1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C18H17BrFN5O/c19-14-10-21-17-9-16(22-25(17)12-14)18(26)24-7-5-23(6-8-24)11-13-3-1-2-4-15(13)20/h1-4,9-10,12H,5-8,11H2
InChIKeySJZZBRWLZGGCCR-UHFFFAOYSA-N
MW418.27 g/mol
LogP2.59
Rot. Bonds3

About (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone

(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone (PubChem CID 19581278) has the molecular formula C18H17BrFN5O and a molecular weight of 418.27 g/mol. Its IUPAC name is (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
PubChem CID19581278
Molecular FormulaC18H17BrFN5O
Molecular Weight418.27 g/mol
Exact Mass417.06
IUPAC Name(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
SMILESO=C(c1cc2ncc(Br)cn2n1)N1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C18H17BrFN5O/c19-14-10-21-17-9-16(22-25(17)12-14)18(26)24-7-5-23(6-8-24)11-13-3-1-2-4-15(13)20/h1-4,9-10,12H,5-8,11H2
InChIKeySJZZBRWLZGGCCR-UHFFFAOYSA-N
XLogP2.59
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.27
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-pyridin-2-ylmethanone
CID 31113719
(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-morpholin-4-ylmethanone
CID 689338
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone
CID 19441888
(7-fluoroisoquinolin-3-yl)-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 167888543
(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(8-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 24810413
(4-bromo-1-ethylpyrazol-5-yl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 19478917
[1-[(3-chloro-4-fluorophenoxy)methyl]pyrazol-3-yl]-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 19472595
(3,5-dichlorophenyl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 27756291
2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoacetic acid
CID 82122743
(4-chloro-1-methylpyrazol-3-yl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 19279147
[1-[(3,5-dimethylphenoxy)methyl]pyrazol-3-yl]-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 17022181
(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(5-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 59660664

Frequently Asked Questions

What is the IUPAC name of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone (CID 19581278) is (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone is O=C(c1cc2ncc(Br)cn2n1)N1CCN(Cc2ccccc2F)CC1.
What is the InChIKey of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is SJZZBRWLZGGCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrFN5O/c19-14-10-21-17-9-16(22-25(17)12-14)18(26)24-7-5-23(6-8-24)11-13-3-1-2-4-15(13)20/h1-4,9-10,12H,5-8,11H2.
What are the key properties of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone?
(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 418.27 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 19581278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).