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

C19H23N5O3 — CID 135497265

IUPACN-[3-(1-ethyl-3-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-4-propoxyphenyl]acetamide
SMILESCCCOc1ccc(NC(C)=O)cc1-c1nc2c(c(C)nn2CC)c(=O)[nH]1
InChIInChI=1S/C19H23N5O3/c1-5-9-27-15-8-7-13(20-12(4)25)10-14(15)17-21-18-16(19(26)22-17)11(3)23-24(18)6-2/h7-8,10H,5-6,9H2,1-4H3,(H,20,25)(H,21,22,26)
InChIKeyUZTKOBHZLUXWPU-UHFFFAOYSA-N
MW369.43 g/mol
LogP2.86
Rot. Bonds6

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

N-[3-(1-ethyl-3-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-4-propoxyphenyl]acetamide (PubChem CID 135497265) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is N-[3-(1-ethyl-3-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-4-propoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[3-(1-ethyl-3-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-4-propoxyphenyl]acetamide
PubChem CID135497265
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC NameN-[3-(1-ethyl-3-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-4-propoxyphenyl]acetamide
SMILESCCCOc1ccc(NC(C)=O)cc1-c1nc2c(c(C)nn2CC)c(=O)[nH]1
InChIInChI=1S/C19H23N5O3/c1-5-9-27-15-8-7-13(20-12(4)25)10-14(15)17-21-18-16(19(26)22-17)11(3)23-24(18)6-2/h7-8,10H,5-6,9H2,1-4H3,(H,20,25)(H,21,22,26)
InChIKeyUZTKOBHZLUXWPU-UHFFFAOYSA-N
XLogP2.86
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1-ethyl-3-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-4-propoxyphenyl]acetamide?
The IUPAC name of N-[3-(1-ethyl-3-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-4-propoxyphenyl]acetamide (CID 135497265) is N-[3-(1-ethyl-3-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-4-propoxyphenyl]acetamide.
What is the SMILES notation for N-[3-(1-ethyl-3-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-4-propoxyphenyl]acetamide?
The canonical SMILES for N-[3-(1-ethyl-3-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-4-propoxyphenyl]acetamide is CCCOc1ccc(NC(C)=O)cc1-c1nc2c(c(C)nn2CC)c(=O)[nH]1.
What is the InChIKey of N-[3-(1-ethyl-3-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-4-propoxyphenyl]acetamide?
The InChIKey is UZTKOBHZLUXWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-5-9-27-15-8-7-13(20-12(4)25)10-14(15)17-21-18-16(19(26)22-17)11(3)23-24(18)6-2/h7-8,10H,5-6,9H2,1-4H3,(H,20,25)(H,21,22,26).
What are the key properties of N-[3-(1-ethyl-3-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-4-propoxyphenyl]acetamide?
N-[3-(1-ethyl-3-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-4-propoxyphenyl]acetamide has a molecular weight of 369.43 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-ethyl-3-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-4-propoxyphenyl]acetamide is sourced from PubChem (CID 135497265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).