5-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one

C24H23N5O2 — CID 16882195

IUPAC5-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1nc2c(cnn2-c2ccccc2)c(=O)n1CCC(=O)N1CCCc2ccccc21
InChIInChI=1S/C24H23N5O2/c1-17-26-23-20(16-25-29(23)19-10-3-2-4-11-19)24(31)27(17)15-13-22(30)28-14-7-9-18-8-5-6-12-21(18)28/h2-6,8,10-12,16H,7,9,13-15H2,1H3
InChIKeyPRPUZWXSKIXCSD-UHFFFAOYSA-N
MW413.48 g/mol
LogP3.26
Rot. Bonds4

About 5-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one

5-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 16882195) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is 5-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID16882195
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC Name5-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1nc2c(cnn2-c2ccccc2)c(=O)n1CCC(=O)N1CCCc2ccccc21
InChIInChI=1S/C24H23N5O2/c1-17-26-23-20(16-25-29(23)19-10-3-2-4-11-19)24(31)27(17)15-13-22(30)28-14-7-9-18-8-5-6-12-21(18)28/h2-6,8,10-12,16H,7,9,13-15H2,1H3
InChIKeyPRPUZWXSKIXCSD-UHFFFAOYSA-N
XLogP3.26
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one with MolForge

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Related Compounds

1-(4-fluorophenyl)-6-methyl-5-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 16882521
6-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135500472
N-cyclopentyl-3-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)propanamide
CID 16882159
N-cyclohexyl-3-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)propanamide
CID 16882160
5-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-1-(4-fluorophenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 16882679
2-(2,3-dihydroindol-1-yl)-N-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 990367
N-(2-methylcyclohexyl)-3-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)propanamide
CID 16882166
1-(4-chlorophenyl)-5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 16798461
5-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-6-methyl-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 16882909
5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 27559360
5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 1088466
N-(3,3-diphenylpropyl)-3-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)propanamide
CID 16882187

Frequently Asked Questions

What is the IUPAC name of 5-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one (CID 16882195) is 5-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one is Cc1nc2c(cnn2-c2ccccc2)c(=O)n1CCC(=O)N1CCCc2ccccc21.
What is the InChIKey of 5-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is PRPUZWXSKIXCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-17-26-23-20(16-25-29(23)19-10-3-2-4-11-19)24(31)27(17)15-13-22(30)28-14-7-9-18-8-5-6-12-21(18)28/h2-6,8,10-12,16H,7,9,13-15H2,1H3.
What are the key properties of 5-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
5-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 413.48 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 16882195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).