[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone

C21H20BrFN6O — CID 39475276

IUPAC[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone
SMILESO=C(c1nn(-c2ccccc2F)c2c1CCC2)N1CCN(c2ncc(Br)cn2)CC1
InChIInChI=1S/C21H20BrFN6O/c22-14-12-24-21(25-13-14)28-10-8-27(9-11-28)20(30)19-15-4-3-7-17(15)29(26-19)18-6-2-1-5-16(18)23/h1-2,5-6,12-13H,3-4,7-11H2
InChIKeyWYZQOIJZSSKQSI-UHFFFAOYSA-N
MW471.33 g/mol
LogP3.02
Rot. Bonds3

About [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone

[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone (PubChem CID 39475276) has the molecular formula C21H20BrFN6O and a molecular weight of 471.33 g/mol. Its IUPAC name is [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone.

Molecular Properties

Compound Name[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone
PubChem CID39475276
Molecular FormulaC21H20BrFN6O
Molecular Weight471.33 g/mol
Exact Mass470.09
IUPAC Name[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone
SMILESO=C(c1nn(-c2ccccc2F)c2c1CCC2)N1CCN(c2ncc(Br)cn2)CC1
InChIInChI=1S/C21H20BrFN6O/c22-14-12-24-21(25-13-14)28-10-8-27(9-11-28)20(30)19-15-4-3-7-17(15)29(26-19)18-6-2-1-5-16(18)23/h1-2,5-6,12-13H,3-4,7-11H2
InChIKeyWYZQOIJZSSKQSI-UHFFFAOYSA-N
XLogP3.02
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.33
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methanone
CID 46454794
[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-[4-(methylamino)piperidin-1-yl]methanone
CID 119559894
[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 39714960
1-[4-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperazin-1-yl]-2-pyridin-2-ylethanone
CID 56521017
3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone
CID 39033571
[4-(1-aminoethyl)piperidin-1-yl]-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone;hydrochloride
CID 119516871
4-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]morpholine-2-carboxylic acid
CID 119239139
2-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-1,3-dihydroisoindole-5-carboxylic acid
CID 146095804
(4-amino-3,3-dimethylpiperidin-1-yl)-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone
CID 120815818
2-[(2R)-4-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]morpholin-2-yl]acetic acid
CID 124705063
[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone
CID 39705403
4-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]morpholine-2-carboxamide
CID 49417558

Frequently Asked Questions

What is the IUPAC name of [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone?
The IUPAC name of [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone (CID 39475276) is [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone.
What is the SMILES notation for [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone?
The canonical SMILES for [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone is O=C(c1nn(-c2ccccc2F)c2c1CCC2)N1CCN(c2ncc(Br)cn2)CC1.
What is the InChIKey of [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone?
The InChIKey is WYZQOIJZSSKQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrFN6O/c22-14-12-24-21(25-13-14)28-10-8-27(9-11-28)20(30)19-15-4-3-7-17(15)29(26-19)18-6-2-1-5-16(18)23/h1-2,5-6,12-13H,3-4,7-11H2.
What are the key properties of [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone?
[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone has a molecular weight of 471.33 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone is sourced from PubChem (CID 39475276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).