4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-(1-methylindol-3-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one

C27H27FN6O2 — CID 46349643

IUPAC4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-(1-methylindol-3-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
SMILESCn1cc(-c2cc3n(n2)CCC(=O)N3CC(=O)N2CCN(c3ccccc3F)CC2)c2ccccc21
InChIInChI=1S/C27H27FN6O2/c1-30-17-20(19-6-2-4-8-23(19)30)22-16-25-33(26(35)10-11-34(25)29-22)18-27(36)32-14-12-31(13-15-32)24-9-5-3-7-21(24)28/h2-9,16-17H,10-15,18H2,1H3
InChIKeyFBHSHHYBABMULF-UHFFFAOYSA-N
MW486.55 g/mol
LogP3.27
Rot. Bonds4

About 4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-(1-methylindol-3-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one

4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-(1-methylindol-3-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 46349643) has the molecular formula C27H27FN6O2 and a molecular weight of 486.55 g/mol. Its IUPAC name is 4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-(1-methylindol-3-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-(1-methylindol-3-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
PubChem CID46349643
Molecular FormulaC27H27FN6O2
Molecular Weight486.55 g/mol
Exact Mass486.22
IUPAC Name4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-(1-methylindol-3-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
SMILESCn1cc(-c2cc3n(n2)CCC(=O)N3CC(=O)N2CCN(c3ccccc3F)CC2)c2ccccc21
InChIInChI=1S/C27H27FN6O2/c1-30-17-20(19-6-2-4-8-23(19)30)22-16-25-33(26(35)10-11-34(25)29-22)18-27(36)32-14-12-31(13-15-32)24-9-5-3-7-21(24)28/h2-9,16-17H,10-15,18H2,1H3
InChIKeyFBHSHHYBABMULF-UHFFFAOYSA-N
XLogP3.27
TPSA66.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.55
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-(1-methylindol-3-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-2-[2-(1-methylindol-3-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]acetamide
CID 46349694
2-[2-(1-methylindol-3-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 46349644
4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-oxobutyl]-2-(1-methylindol-3-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
CID 20966025
4-[2-(1-methylindol-3-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-(3-pyrrolidin-1-ylpropyl)butanamide
CID 46349733
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
1-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]pyrrolidine-2,5-dione
CID 18106218
4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
CID 20928916
(3R)-1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-methoxyphenyl)-3-(1-methylindol-3-yl)propan-1-one
CID 93125113
6-bromo-1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-3,4-dihydroquinolin-2-one
CID 22576637
2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(1-methylindol-3-yl)ethanone
CID 110655403
2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 108995427
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone
CID 1439137

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-(1-methylindol-3-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 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) is 4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-(1-methylindol-3-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-(1-methylindol-3-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-(1-methylindol-3-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one is Cn1cc(-c2cc3n(n2)CCC(=O)N3CC(=O)N2CCN(c3ccccc3F)CC2)c2ccccc21.
What is the InChIKey of 4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-(1-methylindol-3-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is FBHSHHYBABMULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN6O2/c1-30-17-20(19-6-2-4-8-23(19)30)22-16-25-33(26(35)10-11-34(25)29-22)18-27(36)32-14-12-31(13-15-32)24-9-5-3-7-21(24)28/h2-9,16-17H,10-15,18H2,1H3.
What are the key properties of 4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-(1-methylindol-3-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one?
4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-(1-methylindol-3-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 486.55 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-(1-methylindol-3-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 46349643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).