phenyl N-[3-(1,3-dimethyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-4-ethoxyphenyl]carbamate

C22H21N5O4 — CID 139700751

IUPACphenyl N-[3-(1,3-dimethyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-4-ethoxyphenyl]carbamate
SMILESCCOc1ccc(NC(=O)Oc2ccccc2)cc1-c1nc2c(c(C)nn2C)c(=O)[nH]1
InChIInChI=1S/C22H21N5O4/c1-4-30-17-11-10-14(23-22(29)31-15-8-6-5-7-9-15)12-16(17)19-24-20-18(21(28)25-19)13(2)26-27(20)3/h5-12H,4H2,1-3H3,(H,23,29)(H,24,25,28)
InChIKeyVLLDWBYFIXQDBH-UHFFFAOYSA-N
MW419.44 g/mol
LogP3.64
Rot. Bonds5

About phenyl N-[3-(1,3-dimethyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-4-ethoxyphenyl]carbamate

phenyl N-[3-(1,3-dimethyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-4-ethoxyphenyl]carbamate (PubChem CID 139700751) has the molecular formula C22H21N5O4 and a molecular weight of 419.44 g/mol. Its IUPAC name is phenyl N-[3-(1,3-dimethyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-4-ethoxyphenyl]carbamate.

Molecular Properties

Compound Namephenyl N-[3-(1,3-dimethyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-4-ethoxyphenyl]carbamate
PubChem CID139700751
Molecular FormulaC22H21N5O4
Molecular Weight419.44 g/mol
Exact Mass419.16
IUPAC Namephenyl N-[3-(1,3-dimethyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-4-ethoxyphenyl]carbamate
SMILESCCOc1ccc(NC(=O)Oc2ccccc2)cc1-c1nc2c(c(C)nn2C)c(=O)[nH]1
InChIInChI=1S/C22H21N5O4/c1-4-30-17-11-10-14(23-22(29)31-15-8-6-5-7-9-15)12-16(17)19-24-20-18(21(28)25-19)13(2)26-27(20)3/h5-12H,4H2,1-3H3,(H,23,29)(H,24,25,28)
InChIKeyVLLDWBYFIXQDBH-UHFFFAOYSA-N
XLogP3.64
TPSA111.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze phenyl N-[3-(1,3-dimethyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-4-ethoxyphenyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(1,3-dimethyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-4-ethoxyphenyl]piperidine-1-carboxamide
CID 139700762
[3-(1,3-dimethyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-4-propoxyphenyl]urea
CID 135503843
1-[3-(1,3-dimethyl-7-oxo-6H-pyrazolo[4,5-d]pyrimidin-5-yl)-4-ethoxyphenyl]-3-methylthiourea
CID 143842587
N-[3-(1,3-dimethyl-7-oxo-6H-pyrazolo[4,5-d]pyrimidin-5-yl)-4-ethoxyphenyl]-N'-phenylpyrrolidine-1-carboximidamide
CID 143842574
1-[3-(1,3-dimethyl-7-oxo-6H-pyrazolo[4,5-d]pyrimidin-5-yl)-4-propoxyphenyl]-2-methylguanidine
CID 143842589
4-[4-ethoxy-3-(4-oxo-3H-[1]benzofuro[3,2-d]pyrimidin-2-yl)anilino]-4-oxobutanoic acid
CID 139668787
1-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)phenyl]-2-ethylguanidine
CID 135885069
phenyl N-(1,3-dioxoisoindol-5-yl)carbamate
CID 60669008
phenyl N-(2-ethoxyphenyl)carbamate
CID 51345560
N-(3,4-diethoxyphenyl)-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16621919
methyl 1-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)anilino]cyclobutane-1-carboxylate
CID 163397443
3-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)anilino]-N-hydroxypropanamide
CID 136645447

Frequently Asked Questions

What is the IUPAC name of phenyl N-[3-(1,3-dimethyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-4-ethoxyphenyl]carbamate?
The IUPAC name of phenyl N-[3-(1,3-dimethyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-4-ethoxyphenyl]carbamate (CID 139700751) is phenyl N-[3-(1,3-dimethyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-4-ethoxyphenyl]carbamate.
What is the SMILES notation for phenyl N-[3-(1,3-dimethyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-4-ethoxyphenyl]carbamate?
The canonical SMILES for phenyl N-[3-(1,3-dimethyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-4-ethoxyphenyl]carbamate is CCOc1ccc(NC(=O)Oc2ccccc2)cc1-c1nc2c(c(C)nn2C)c(=O)[nH]1.
What is the InChIKey of phenyl N-[3-(1,3-dimethyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-4-ethoxyphenyl]carbamate?
The InChIKey is VLLDWBYFIXQDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O4/c1-4-30-17-11-10-14(23-22(29)31-15-8-6-5-7-9-15)12-16(17)19-24-20-18(21(28)25-19)13(2)26-27(20)3/h5-12H,4H2,1-3H3,(H,23,29)(H,24,25,28).
What are the key properties of phenyl N-[3-(1,3-dimethyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-4-ethoxyphenyl]carbamate?
phenyl N-[3-(1,3-dimethyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-4-ethoxyphenyl]carbamate has a molecular weight of 419.44 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[3-(1,3-dimethyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-4-ethoxyphenyl]carbamate is sourced from PubChem (CID 139700751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).