6-[[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]methyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

C23H22FN5O2 — CID 136706524

IUPAC6-[[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]methyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(CN(CC(O)c2ccc(F)cc2)C2CC2)nc2c1cnn2-c1ccccc1
InChIInChI=1S/C23H22FN5O2/c24-16-8-6-15(7-9-16)20(30)13-28(17-10-11-17)14-21-26-22-19(23(31)27-21)12-25-29(22)18-4-2-1-3-5-18/h1-9,12,17,20,30H,10-11,13-14H2,(H,26,27,31)
InChIKeyADRNHWURWBNOQF-UHFFFAOYSA-N
MW419.46 g/mol
LogP2.95
Rot. Bonds7

About 6-[[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]methyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

6-[[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]methyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 136706524) has the molecular formula C23H22FN5O2 and a molecular weight of 419.46 g/mol. Its IUPAC name is 6-[[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]methyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]methyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID136706524
Molecular FormulaC23H22FN5O2
Molecular Weight419.46 g/mol
Exact Mass419.18
IUPAC Name6-[[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]methyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(CN(CC(O)c2ccc(F)cc2)C2CC2)nc2c1cnn2-c1ccccc1
InChIInChI=1S/C23H22FN5O2/c24-16-8-6-15(7-9-16)20(30)13-28(17-10-11-17)14-21-26-22-19(23(31)27-21)12-25-29(22)18-4-2-1-3-5-18/h1-9,12,17,20,30H,10-11,13-14H2,(H,26,27,31)
InChIKeyADRNHWURWBNOQF-UHFFFAOYSA-N
XLogP2.95
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137275271
6-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136741996
6-[[(4-fluorophenyl)-phenylmethyl]amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137274805
6-[3-(4-fluorophenyl)-3-hydroxyazetidin-1-yl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137271985
1-[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)methyl]piperidine-4-carbonitrile
CID 135965634
6-[(4-hydroxy-1-azaspiro[4.4]nonan-1-yl)methyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 138989716
1-phenyl-6-[(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137242950
6-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136934134
6-[[4-(2-fluorobenzoyl)piperazin-1-yl]methyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136743382
6-[(2-cyclohexyl-2-hydroxyethyl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136528482
6-(cyclopropylmethylamino)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 167962667
N-benzyl-N-(1-cyclopropylethyl)-2-[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide
CID 137290179

Frequently Asked Questions

What is the IUPAC name of 6-[[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]methyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-[[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]methyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 136706524) is 6-[[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]methyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]methyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]methyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is O=c1[nH]c(CN(CC(O)c2ccc(F)cc2)C2CC2)nc2c1cnn2-c1ccccc1.
What is the InChIKey of 6-[[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]methyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is ADRNHWURWBNOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O2/c24-16-8-6-15(7-9-16)20(30)13-28(17-10-11-17)14-21-26-22-19(23(31)27-21)12-25-29(22)18-4-2-1-3-5-18/h1-9,12,17,20,30H,10-11,13-14H2,(H,26,27,31).
What are the key properties of 6-[[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]methyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
6-[[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]methyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 419.46 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]methyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 136706524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).