2-(1-cyclopropyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide

C14H14N6O3 — CID 146148144

IUPAC2-(1-cyclopropyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
SMILESCc1cc(NC(=O)Cn2cnc3c(cnn3C3CC3)c2=O)on1
InChIInChI=1S/C14H14N6O3/c1-8-4-12(23-18-8)17-11(21)6-19-7-15-13-10(14(19)22)5-16-20(13)9-2-3-9/h4-5,7,9H,2-3,6H2,1H3,(H,17,21)
InChIKeyHUAUAVHREKQNKI-UHFFFAOYSA-N
MW314.31 g/mol
LogP0.86
Rot. Bonds4

About 2-(1-cyclopropyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide

2-(1-cyclopropyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide (PubChem CID 146148144) has the molecular formula C14H14N6O3 and a molecular weight of 314.31 g/mol. Its IUPAC name is 2-(1-cyclopropyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(1-cyclopropyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
PubChem CID146148144
Molecular FormulaC14H14N6O3
Molecular Weight314.31 g/mol
Exact Mass314.11
IUPAC Name2-(1-cyclopropyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
SMILESCc1cc(NC(=O)Cn2cnc3c(cnn3C3CC3)c2=O)on1
InChIInChI=1S/C14H14N6O3/c1-8-4-12(23-18-8)17-11(21)6-19-7-15-13-10(14(19)22)5-16-20(13)9-2-3-9/h4-5,7,9H,2-3,6H2,1H3,(H,17,21)
InChIKeyHUAUAVHREKQNKI-UHFFFAOYSA-N
XLogP0.86
TPSA107.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(1-cyclopropyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide with MolForge

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Related Compounds

N-(3-methyl-1,2-oxazol-5-yl)-2-(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-11-yl)acetamide
CID 38849625
2-[1-[(3R)-1,1-dioxothiolan-3-yl]-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(4-ethoxyphenyl)acetamide
CID 27377590
2-[1-(3,5-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 30693258
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 38861918
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetyl]piperazin-1-yl]acetamide
CID 42323996
N-(3-methyl-1,2-oxazol-5-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide
CID 51088987
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 47025846
N-(3-methyl-1,2-oxazol-5-yl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 16596717
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 87037493
2-[3-(methylamino)piperidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide;hydrochloride
CID 119920207
2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 51339916
N-cyclopropyl-2-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 1433574

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
The IUPAC name of 2-(1-cyclopropyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide (CID 146148144) is 2-(1-cyclopropyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide.
What is the SMILES notation for 2-(1-cyclopropyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
The canonical SMILES for 2-(1-cyclopropyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide is Cc1cc(NC(=O)Cn2cnc3c(cnn3C3CC3)c2=O)on1.
What is the InChIKey of 2-(1-cyclopropyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
The InChIKey is HUAUAVHREKQNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O3/c1-8-4-12(23-18-8)17-11(21)6-19-7-15-13-10(14(19)22)5-16-20(13)9-2-3-9/h4-5,7,9H,2-3,6H2,1H3,(H,17,21).
What are the key properties of 2-(1-cyclopropyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
2-(1-cyclopropyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide has a molecular weight of 314.31 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide is sourced from PubChem (CID 146148144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).