N-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-2-(2-methylphenoxy)acetamide

C18H21N5O3 — CID 18586628

IUPACN-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)Nn1cnc2c(cnn2C(C)(C)C)c1=O
InChIInChI=1S/C18H21N5O3/c1-12-7-5-6-8-14(12)26-10-15(24)21-22-11-19-16-13(17(22)25)9-20-23(16)18(2,3)4/h5-9,11H,10H2,1-4H3,(H,21,24)
InChIKeySYVLBTZJRLBZHW-UHFFFAOYSA-N
MW355.40 g/mol
LogP1.81
Rot. Bonds4

About N-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-2-(2-methylphenoxy)acetamide

N-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-2-(2-methylphenoxy)acetamide (PubChem CID 18586628) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is N-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-2-(2-methylphenoxy)acetamide
PubChem CID18586628
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC NameN-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)Nn1cnc2c(cnn2C(C)(C)C)c1=O
InChIInChI=1S/C18H21N5O3/c1-12-7-5-6-8-14(12)26-10-15(24)21-22-11-19-16-13(17(22)25)9-20-23(16)18(2,3)4/h5-9,11H,10H2,1-4H3,(H,21,24)
InChIKeySYVLBTZJRLBZHW-UHFFFAOYSA-N
XLogP1.81
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-2-(2-methylphenoxy)acetamide (CID 18586628) is N-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-2-(2-methylphenoxy)acetamide is Cc1ccccc1OCC(=O)Nn1cnc2c(cnn2C(C)(C)C)c1=O.
What is the InChIKey of N-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-2-(2-methylphenoxy)acetamide?
The InChIKey is SYVLBTZJRLBZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3/c1-12-7-5-6-8-14(12)26-10-15(24)21-22-11-19-16-13(17(22)25)9-20-23(16)18(2,3)4/h5-9,11H,10H2,1-4H3,(H,21,24).
What are the key properties of N-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-2-(2-methylphenoxy)acetamide?
N-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-2-(2-methylphenoxy)acetamide has a molecular weight of 355.40 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 18586628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).