5-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one

C25H25ClN6O2 — CID 16883108

IUPAC5-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1ccc(-n2ncc3c(=O)n(CCC(=O)N4CCN(c5ccccc5Cl)CC4)cnc32)cc1
InChIInChI=1S/C25H25ClN6O2/c1-18-6-8-19(9-7-18)32-24-20(16-28-32)25(34)31(17-27-24)11-10-23(33)30-14-12-29(13-15-30)22-5-3-2-4-21(22)26/h2-9,16-17H,10-15H2,1H3
InChIKeyPUTPEOMRZSBXCU-UHFFFAOYSA-N
MW476.97 g/mol
LogP3.28
Rot. Bonds5

About 5-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one

5-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 16883108) has the molecular formula C25H25ClN6O2 and a molecular weight of 476.97 g/mol. Its IUPAC name is 5-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID16883108
Molecular FormulaC25H25ClN6O2
Molecular Weight476.97 g/mol
Exact Mass476.17
IUPAC Name5-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1ccc(-n2ncc3c(=O)n(CCC(=O)N4CCN(c5ccccc5Cl)CC4)cnc32)cc1
InChIInChI=1S/C25H25ClN6O2/c1-18-6-8-19(9-7-18)32-24-20(16-28-32)25(34)31(17-27-24)11-10-23(33)30-14-12-29(13-15-30)22-5-3-2-4-21(22)26/h2-9,16-17H,10-15H2,1H3
InChIKeyPUTPEOMRZSBXCU-UHFFFAOYSA-N
XLogP3.28
TPSA76.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.97
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-methylphenyl)-5-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 16883103
1-(4-fluorophenyl)-5-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 16882720
5-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 16882325
1-methyl-5-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 35187304
3-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-8-methyl-5H-pyrimido[5,4-b]indol-4-one
CID 45499865
1-(4-methylphenyl)-5-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 16883092
5-[2-(azepan-1-yl)-2-oxoethyl]-1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 1433777
5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 7087494
ethyl 1-[3-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanoyl]piperidine-3-carboxylate
CID 16883096
1-(4-fluorophenyl)-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 1433541
1-(3,4-dimethylphenyl)-5-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 1433577
3-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-naphthalen-1-ylpropanamide
CID 16883207

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one (CID 16883108) is 5-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one is Cc1ccc(-n2ncc3c(=O)n(CCC(=O)N4CCN(c5ccccc5Cl)CC4)cnc32)cc1.
What is the InChIKey of 5-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is PUTPEOMRZSBXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN6O2/c1-18-6-8-19(9-7-18)32-24-20(16-28-32)25(34)31(17-27-24)11-10-23(33)30-14-12-29(13-15-30)22-5-3-2-4-21(22)26/h2-9,16-17H,10-15H2,1H3.
What are the key properties of 5-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one?
5-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 476.97 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 16883108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).