N-[3-(1,3-dimethyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-4-propoxyphenyl]acetamide

C18H21N5O3 — CID 135536802

IUPACN-[3-(1,3-dimethyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-4-propoxyphenyl]acetamide
SMILESCCCOc1ccc(NC(C)=O)cc1-c1nc2c(c(C)nn2C)c(=O)[nH]1
InChIInChI=1S/C18H21N5O3/c1-5-8-26-14-7-6-12(19-11(3)24)9-13(14)16-20-17-15(18(25)21-16)10(2)22-23(17)4/h6-7,9H,5,8H2,1-4H3,(H,19,24)(H,20,21,25)
InChIKeySCJNHFXNFYISNU-UHFFFAOYSA-N
MW355.40 g/mol
LogP2.38
Rot. Bonds5

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

N-[3-(1,3-dimethyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-4-propoxyphenyl]acetamide (PubChem CID 135536802) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is N-[3-(1,3-dimethyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-4-propoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[3-(1,3-dimethyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-4-propoxyphenyl]acetamide
PubChem CID135536802
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC NameN-[3-(1,3-dimethyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-4-propoxyphenyl]acetamide
SMILESCCCOc1ccc(NC(C)=O)cc1-c1nc2c(c(C)nn2C)c(=O)[nH]1
InChIInChI=1S/C18H21N5O3/c1-5-8-26-14-7-6-12(19-11(3)24)9-13(14)16-20-17-15(18(25)21-16)10(2)22-23(17)4/h6-7,9H,5,8H2,1-4H3,(H,19,24)(H,20,21,25)
InChIKeySCJNHFXNFYISNU-UHFFFAOYSA-N
XLogP2.38
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-dimethyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-4-propoxyphenyl]acetamide?
The IUPAC name of N-[3-(1,3-dimethyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-4-propoxyphenyl]acetamide (CID 135536802) is N-[3-(1,3-dimethyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-4-propoxyphenyl]acetamide.
What is the SMILES notation for N-[3-(1,3-dimethyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-4-propoxyphenyl]acetamide?
The canonical SMILES for N-[3-(1,3-dimethyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-4-propoxyphenyl]acetamide is CCCOc1ccc(NC(C)=O)cc1-c1nc2c(c(C)nn2C)c(=O)[nH]1.
What is the InChIKey of N-[3-(1,3-dimethyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-4-propoxyphenyl]acetamide?
The InChIKey is SCJNHFXNFYISNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3/c1-5-8-26-14-7-6-12(19-11(3)24)9-13(14)16-20-17-15(18(25)21-16)10(2)22-23(17)4/h6-7,9H,5,8H2,1-4H3,(H,19,24)(H,20,21,25).
What are the key properties of N-[3-(1,3-dimethyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-4-propoxyphenyl]acetamide?
N-[3-(1,3-dimethyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-4-propoxyphenyl]acetamide has a molecular weight of 355.40 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-dimethyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-4-propoxyphenyl]acetamide is sourced from PubChem (CID 135536802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).