4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-(1-methylpyrrol-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one

C23H25FN6O2 — CID 46349526

IUPAC4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-(1-methylpyrrol-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
SMILESCn1cccc1-c1cc2n(n1)CCC(=O)N2CC(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C23H25FN6O2/c1-26-9-2-3-20(26)19-15-21-29(22(31)8-10-30(21)25-19)16-23(32)28-13-11-27(12-14-28)18-6-4-17(24)5-7-18/h2-7,9,15H,8,10-14,16H2,1H3
InChIKeyBVRRYNBRFGNBBP-UHFFFAOYSA-N
MW436.49 g/mol
LogP2.11
Rot. Bonds4

About 4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-(1-methylpyrrol-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one

4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-(1-methylpyrrol-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 46349526) has the molecular formula C23H25FN6O2 and a molecular weight of 436.49 g/mol. Its IUPAC name is 4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-(1-methylpyrrol-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-(1-methylpyrrol-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
PubChem CID46349526
Molecular FormulaC23H25FN6O2
Molecular Weight436.49 g/mol
Exact Mass436.20
IUPAC Name4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-(1-methylpyrrol-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
SMILESCn1cccc1-c1cc2n(n1)CCC(=O)N2CC(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C23H25FN6O2/c1-26-9-2-3-20(26)19-15-21-29(22(31)8-10-30(21)25-19)16-23(32)28-13-11-27(12-14-28)18-6-4-17(24)5-7-18/h2-7,9,15H,8,10-14,16H2,1H3
InChIKeyBVRRYNBRFGNBBP-UHFFFAOYSA-N
XLogP2.11
TPSA66.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
CID 20928916
4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-2-(1-methylpyrrol-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
CID 20965943
4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-(1-methylindol-3-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
CID 46349643
N-cyclopropyl-4-[2-(1-methylpyrrol-2-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]butanamide
CID 46349553
4-[[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]methyl]-2-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
CID 20920117
N-[2-(cyclohexen-1-yl)ethyl]-4-[2-(1-methylpyrrol-2-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]butanamide
CID 46349558
1-[2-(1-methylpyrrol-2-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-(4-pyridin-2-ylpiperazin-1-yl)butane-1,4-dione
CID 46282453
2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 108995416
2-[4-(4-fluorophenyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 861157
1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 3659016
5-bromo-2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 110839302
2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 146046332

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-(1-methylpyrrol-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-(1-methylpyrrol-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one (CID 46349526) is 4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-(1-methylpyrrol-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-(1-methylpyrrol-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-(1-methylpyrrol-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one is Cn1cccc1-c1cc2n(n1)CCC(=O)N2CC(=O)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-(1-methylpyrrol-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is BVRRYNBRFGNBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN6O2/c1-26-9-2-3-20(26)19-15-21-29(22(31)8-10-30(21)25-19)16-23(32)28-13-11-27(12-14-28)18-6-4-17(24)5-7-18/h2-7,9,15H,8,10-14,16H2,1H3.
What are the key properties of 4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-(1-methylpyrrol-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one?
4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-(1-methylpyrrol-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 436.49 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-(1-methylpyrrol-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 46349526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).