6-[1-(4-methylphenyl)ethylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

C20H19N5O — CID 137275090

IUPAC6-[1-(4-methylphenyl)ethylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1ccc(C(C)Nc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)cc1
InChIInChI=1S/C20H19N5O/c1-13-8-10-15(11-9-13)14(2)22-20-23-18-17(19(26)24-20)12-21-25(18)16-6-4-3-5-7-16/h3-12,14H,1-2H3,(H2,22,23,24,26)
InChIKeyOEFPYVMBIKRILR-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.59
Rot. Bonds4

About 6-[1-(4-methylphenyl)ethylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

6-[1-(4-methylphenyl)ethylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 137275090) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is 6-[1-(4-methylphenyl)ethylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[1-(4-methylphenyl)ethylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID137275090
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name6-[1-(4-methylphenyl)ethylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1ccc(C(C)Nc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)cc1
InChIInChI=1S/C20H19N5O/c1-13-8-10-15(11-9-13)14(2)22-20-23-18-17(19(26)24-20)12-21-25(18)16-6-4-3-5-7-16/h3-12,14H,1-2H3,(H2,22,23,24,26)
InChIKeyOEFPYVMBIKRILR-UHFFFAOYSA-N
XLogP3.59
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[1-(5-chlorothiophen-2-yl)ethylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137258283
6-[[(4-fluorophenyl)-phenylmethyl]amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137274805
6-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137269912
6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137269859
6-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137275271
1-(4-methylphenyl)-6-(1-phenylethylsulfanyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135468340
6-[[(1S)-1-(1-morpholin-4-ylcyclopentyl)ethyl]amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136817035
6-methyl-1-(4-methylphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135444506
6-[(3-methylphenyl)methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137274759
6-[(1-methylcyclopentyl)methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137275297
1-phenyl-6-(pyridin-2-ylmethylamino)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136528257
2-[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]-N-(1-phenylethyl)propanamide
CID 135930587

Frequently Asked Questions

What is the IUPAC name of 6-[1-(4-methylphenyl)ethylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-[1-(4-methylphenyl)ethylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 137275090) is 6-[1-(4-methylphenyl)ethylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[1-(4-methylphenyl)ethylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[1-(4-methylphenyl)ethylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is Cc1ccc(C(C)Nc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)cc1.
What is the InChIKey of 6-[1-(4-methylphenyl)ethylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is OEFPYVMBIKRILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-13-8-10-15(11-9-13)14(2)22-20-23-18-17(19(26)24-20)12-21-25(18)16-6-4-3-5-7-16/h3-12,14H,1-2H3,(H2,22,23,24,26).
What are the key properties of 6-[1-(4-methylphenyl)ethylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
6-[1-(4-methylphenyl)ethylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 345.41 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(4-methylphenyl)ethylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 137275090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).