N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-2-quinazolin-4-yloxyacetamide

C17H14N6O2 — CID 90653539

IUPACN-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-2-quinazolin-4-yloxyacetamide
SMILESO=C(COc1ncnc2ccccc12)NCc1cnn2cccnc12
InChIInChI=1S/C17H14N6O2/c24-15(19-8-12-9-22-23-7-3-6-18-16(12)23)10-25-17-13-4-1-2-5-14(13)20-11-21-17/h1-7,9,11H,8,10H2,(H,19,24)
InChIKeyVRGFWDZGNNRRFY-UHFFFAOYSA-N
MW334.34 g/mol
LogP1.37
Rot. Bonds5

About N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-2-quinazolin-4-yloxyacetamide

N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-2-quinazolin-4-yloxyacetamide (PubChem CID 90653539) has the molecular formula C17H14N6O2 and a molecular weight of 334.34 g/mol. Its IUPAC name is N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-2-quinazolin-4-yloxyacetamide.

Molecular Properties

Compound NameN-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-2-quinazolin-4-yloxyacetamide
PubChem CID90653539
Molecular FormulaC17H14N6O2
Molecular Weight334.34 g/mol
Exact Mass334.12
IUPAC NameN-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-2-quinazolin-4-yloxyacetamide
SMILESO=C(COc1ncnc2ccccc12)NCc1cnn2cccnc12
InChIInChI=1S/C17H14N6O2/c24-15(19-8-12-9-22-23-7-3-6-18-16(12)23)10-25-17-13-4-1-2-5-14(13)20-11-21-17/h1-7,9,11H,8,10H2,(H,19,24)
InChIKeyVRGFWDZGNNRRFY-UHFFFAOYSA-N
XLogP1.37
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4,4,4-trifluoro-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)butanamide
CID 86286976
N-methyl-2-quinazolin-4-yloxyacetamide
CID 2422162
2-quinazolin-4-yloxy-N-(2,2,2-trifluoroethyl)acetamide
CID 2457069
(3R)-3-(4-methoxyphenyl)-3-phenyl-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)propanamide
CID 97282762
2-(1-methylindol-3-yl)sulfanyl-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)acetamide
CID 119069253
2-oxo-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-1H-quinoline-4-carboxamide
CID 72860863
2-[[(2R)-oxan-2-yl]methoxy]-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)acetamide
CID 99980933
2-(5-phenyltetrazol-2-yl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)acetamide
CID 90648596
N-(2-phenoxyethyl)-2-quinazolin-4-yloxyacetamide
CID 78801696
N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-quinazolin-4-yloxyacetamide
CID 46964275
3-amino-3-(3,4-dimethoxyphenyl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)propanamide
CID 91832531
methyl 2-[(2-quinazolin-4-yloxyacetyl)amino]benzoate
CID 2393006

Frequently Asked Questions

What is the IUPAC name of N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-2-quinazolin-4-yloxyacetamide?
The IUPAC name of N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-2-quinazolin-4-yloxyacetamide (CID 90653539) is N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-2-quinazolin-4-yloxyacetamide.
What is the SMILES notation for N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-2-quinazolin-4-yloxyacetamide?
The canonical SMILES for N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-2-quinazolin-4-yloxyacetamide is O=C(COc1ncnc2ccccc12)NCc1cnn2cccnc12.
What is the InChIKey of N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-2-quinazolin-4-yloxyacetamide?
The InChIKey is VRGFWDZGNNRRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O2/c24-15(19-8-12-9-22-23-7-3-6-18-16(12)23)10-25-17-13-4-1-2-5-14(13)20-11-21-17/h1-7,9,11H,8,10H2,(H,19,24).
What are the key properties of N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-2-quinazolin-4-yloxyacetamide?
N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-2-quinazolin-4-yloxyacetamide has a molecular weight of 334.34 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-2-quinazolin-4-yloxyacetamide is sourced from PubChem (CID 90653539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).