2-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(oxolan-2-ylmethyl)acetamide

C19H21N5O3 — CID 3244703

IUPAC2-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1ccc(-n2ncc3c(=O)n(CC(=O)NCC4CCCO4)cnc32)cc1
InChIInChI=1S/C19H21N5O3/c1-13-4-6-14(7-5-13)24-18-16(10-22-24)19(26)23(12-21-18)11-17(25)20-9-15-3-2-8-27-15/h4-7,10,12,15H,2-3,8-9,11H2,1H3,(H,20,25)
InChIKeyFHIKGLNJPMUADA-UHFFFAOYSA-N
MW367.41 g/mol
LogP1.19
Rot. Bonds5

About 2-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(oxolan-2-ylmethyl)acetamide

2-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 3244703) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is 2-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID3244703
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name2-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1ccc(-n2ncc3c(=O)n(CC(=O)NCC4CCCO4)cnc32)cc1
InChIInChI=1S/C19H21N5O3/c1-13-4-6-14(7-5-13)24-18-16(10-22-24)19(26)23(12-21-18)11-17(25)20-9-15-3-2-8-27-15/h4-7,10,12,15H,2-3,8-9,11H2,1H3,(H,20,25)
InChIKeyFHIKGLNJPMUADA-UHFFFAOYSA-N
XLogP1.19
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(oxolan-2-ylmethyl)acetamide (CID 3244703) is 2-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(oxolan-2-ylmethyl)acetamide is Cc1ccc(-n2ncc3c(=O)n(CC(=O)NCC4CCCO4)cnc32)cc1.
What is the InChIKey of 2-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is FHIKGLNJPMUADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-13-4-6-14(7-5-13)24-18-16(10-22-24)19(26)23(12-21-18)11-17(25)20-9-15-3-2-8-27-15/h4-7,10,12,15H,2-3,8-9,11H2,1H3,(H,20,25).
What are the key properties of 2-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(oxolan-2-ylmethyl)acetamide?
2-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 367.41 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 3244703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).