5-phenyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine

C20H15N7O — CID 70785677

IUPAC5-phenyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESc1ccc(-c2cc(NCc3nc(-c4ccccn4)no3)n3nccc3n2)cc1
InChIInChI=1S/C20H15N7O/c1-2-6-14(7-3-1)16-12-18(27-17(24-16)9-11-23-27)22-13-19-25-20(26-28-19)15-8-4-5-10-21-15/h1-12,22H,13H2
InChIKeyZTBQXZTXBKHXEP-UHFFFAOYSA-N
MW369.39 g/mol
LogP3.45
Rot. Bonds5

About 5-phenyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine

5-phenyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 70785677) has the molecular formula C20H15N7O and a molecular weight of 369.39 g/mol. Its IUPAC name is 5-phenyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-phenyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID70785677
Molecular FormulaC20H15N7O
Molecular Weight369.39 g/mol
Exact Mass369.13
IUPAC Name5-phenyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESc1ccc(-c2cc(NCc3nc(-c4ccccn4)no3)n3nccc3n2)cc1
InChIInChI=1S/C20H15N7O/c1-2-6-14(7-3-1)16-12-18(27-17(24-16)9-11-23-27)22-13-19-25-20(26-28-19)15-8-4-5-10-21-15/h1-12,22H,13H2
InChIKeyZTBQXZTXBKHXEP-UHFFFAOYSA-N
XLogP3.45
TPSA94.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-[[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1,3-dihydrobenzimidazol-2-one
CID 70772498
N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 70787447
N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 70734186
5-phenyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 56899654
5-phenyl-N-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 95712908
N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine
CID 60837872
2-(4-methyl-1,3-thiazol-2-yl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine
CID 75423305
5-(4-phenylphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 838877
N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]prop-2-yn-1-amine
CID 79273565
N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 70771434
5-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 56889061
5-propan-2-yl-N-[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 56910842

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-phenyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 70785677) is 5-phenyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-phenyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-phenyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine is c1ccc(-c2cc(NCc3nc(-c4ccccn4)no3)n3nccc3n2)cc1.
What is the InChIKey of 5-phenyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is ZTBQXZTXBKHXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N7O/c1-2-6-14(7-3-1)16-12-18(27-17(24-16)9-11-23-27)22-13-19-25-20(26-28-19)15-8-4-5-10-21-15/h1-12,22H,13H2.
What are the key properties of 5-phenyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
5-phenyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 369.39 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 70785677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).