1-butyl-3-methyl-6-(2-propoxyphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one

C19H24N4O2 — CID 135467743

IUPAC1-butyl-3-methyl-6-(2-propoxyphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCCCCn1nc(C)c2c(=O)[nH]c(-c3ccccc3OCCC)nc21
InChIInChI=1S/C19H24N4O2/c1-4-6-11-23-18-16(13(3)22-23)19(24)21-17(20-18)14-9-7-8-10-15(14)25-12-5-2/h7-10H,4-6,11-12H2,1-3H3,(H,20,21,24)
InChIKeyFVTSLDAXXBMRGN-UHFFFAOYSA-N
MW340.43 g/mol
LogP3.68
Rot. Bonds7

About 1-butyl-3-methyl-6-(2-propoxyphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one

1-butyl-3-methyl-6-(2-propoxyphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135467743) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-butyl-3-methyl-6-(2-propoxyphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-butyl-3-methyl-6-(2-propoxyphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135467743
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name1-butyl-3-methyl-6-(2-propoxyphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCCCCn1nc(C)c2c(=O)[nH]c(-c3ccccc3OCCC)nc21
InChIInChI=1S/C19H24N4O2/c1-4-6-11-23-18-16(13(3)22-23)19(24)21-17(20-18)14-9-7-8-10-15(14)25-12-5-2/h7-10H,4-6,11-12H2,1-3H3,(H,20,21,24)
InChIKeyFVTSLDAXXBMRGN-UHFFFAOYSA-N
XLogP3.68
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Gendenafil
CID 135559102
5-(2-Ethoxyphenyl)-1-methyl-3-n-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]-7-pyrimidinone
CID 135401477
1-[3-(1,3-Dimethyl-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-propoxy-phenyl]-3-(4-fluoro-phenyl)-urea
CID 135423938
3-Methyl-6-(2-propoxy-phenyl)-1-propyl-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
CID 135503803
1-Ethyl-3-methyl-6-(5-nitro-2-propoxy-phenyl)-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
CID 135513951
[3-(1,3-Dimethyl-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-propoxy-phenyl]-thiourea
CID 135513970
N-[3-(1,3-Dimethyl-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-propoxy-phenyl]-acetamide
CID 135536802
1,3-Dimethyl-6-(5-nitro-2-propoxy-phenyl)-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
CID 135536783
6-(2-Ethoxy-phenyl)-3-methyl-1-propyl-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
CID 136132276
Ethyl 3-[4-ethyl-2-(2-methoxyphenyl)-5-methyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]propanoate
CID 3245427
N-[3-(1,3-Dimethyl-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-propoxy-phenyl]-4-fluoro-benzamide
CID 135406502
6-(5-Dimethylamino-2-propoxy-phenyl)-1,3-dimethyl-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
CID 135419269

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-methyl-6-(2-propoxyphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-butyl-3-methyl-6-(2-propoxyphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 135467743) is 1-butyl-3-methyl-6-(2-propoxyphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-butyl-3-methyl-6-(2-propoxyphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-butyl-3-methyl-6-(2-propoxyphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is CCCCn1nc(C)c2c(=O)[nH]c(-c3ccccc3OCCC)nc21.
What is the InChIKey of 1-butyl-3-methyl-6-(2-propoxyphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is FVTSLDAXXBMRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-4-6-11-23-18-16(13(3)22-23)19(24)21-17(20-18)14-9-7-8-10-15(14)25-12-5-2/h7-10H,4-6,11-12H2,1-3H3,(H,20,21,24).
What are the key properties of 1-butyl-3-methyl-6-(2-propoxyphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-butyl-3-methyl-6-(2-propoxyphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 340.43 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-methyl-6-(2-propoxyphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135467743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).