5-[7-oxo-5-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazolo[1,5-a]pyrimidin-3-yl]-1,3,4-oxadiazole-2-carboxamide

C15H8F3N7O3 — CID 170026970

IUPAC5-[7-oxo-5-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazolo[1,5-a]pyrimidin-3-yl]-1,3,4-oxadiazole-2-carboxamide
SMILESNC(=O)c1nnc(-c2c[nH]n3c(=O)cc(-c4ccc(C(F)(F)F)cn4)nc23)o1
InChIInChI=1S/C15H8F3N7O3/c16-15(17,18)6-1-2-8(20-4-6)9-3-10(26)25-12(22-9)7(5-21-25)13-23-24-14(28-13)11(19)27/h1-5,21H,(H2,19,27)
InChIKeyMJENHJWQIKKAOB-UHFFFAOYSA-N
MW391.27 g/mol
LogP1.25
Rot. Bonds3

About 5-[7-oxo-5-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazolo[1,5-a]pyrimidin-3-yl]-1,3,4-oxadiazole-2-carboxamide

5-[7-oxo-5-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazolo[1,5-a]pyrimidin-3-yl]-1,3,4-oxadiazole-2-carboxamide (PubChem CID 170026970) has the molecular formula C15H8F3N7O3 and a molecular weight of 391.27 g/mol. Its IUPAC name is 5-[7-oxo-5-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazolo[1,5-a]pyrimidin-3-yl]-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-[7-oxo-5-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazolo[1,5-a]pyrimidin-3-yl]-1,3,4-oxadiazole-2-carboxamide
PubChem CID170026970
Molecular FormulaC15H8F3N7O3
Molecular Weight391.27 g/mol
Exact Mass391.06
IUPAC Name5-[7-oxo-5-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazolo[1,5-a]pyrimidin-3-yl]-1,3,4-oxadiazole-2-carboxamide
SMILESNC(=O)c1nnc(-c2c[nH]n3c(=O)cc(-c4ccc(C(F)(F)F)cn4)nc23)o1
InChIInChI=1S/C15H8F3N7O3/c16-15(17,18)6-1-2-8(20-4-6)9-3-10(26)25-12(22-9)7(5-21-25)13-23-24-14(28-13)11(19)27/h1-5,21H,(H2,19,27)
InChIKeyMJENHJWQIKKAOB-UHFFFAOYSA-N
XLogP1.25
TPSA145.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.27
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-pyridin-2-yl-5-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 70925349
N-cyclopropyl-7-oxo-5-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 155775673
2-bromo-5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazole
CID 114909560
methyl 4-(7-oxo-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)benzoate
CID 70925637
1-(4-chlorophenyl)-2-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
CID 2746578
3-(4-fluorophenyl)-5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 70925446
1-phenyl-2-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
CID 2746579
5-[5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-amine
CID 114908388
6-[5-(trifluoromethyl)-2-pyridinyl]-1H-indole-2-carboxylic acid
CID 168510073
3-thiophen-2-yl-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82274071
N-propan-2-yl-5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,3,4-oxadiazole-2-carboxamide
CID 155211847
5-(1-ethylindazol-5-yl)-3-(5-phenyl-1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 90112043

Frequently Asked Questions

What is the IUPAC name of 5-[7-oxo-5-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazolo[1,5-a]pyrimidin-3-yl]-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-[7-oxo-5-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazolo[1,5-a]pyrimidin-3-yl]-1,3,4-oxadiazole-2-carboxamide (CID 170026970) is 5-[7-oxo-5-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazolo[1,5-a]pyrimidin-3-yl]-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-[7-oxo-5-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazolo[1,5-a]pyrimidin-3-yl]-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-[7-oxo-5-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazolo[1,5-a]pyrimidin-3-yl]-1,3,4-oxadiazole-2-carboxamide is NC(=O)c1nnc(-c2c[nH]n3c(=O)cc(-c4ccc(C(F)(F)F)cn4)nc23)o1.
What is the InChIKey of 5-[7-oxo-5-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazolo[1,5-a]pyrimidin-3-yl]-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is MJENHJWQIKKAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F3N7O3/c16-15(17,18)6-1-2-8(20-4-6)9-3-10(26)25-12(22-9)7(5-21-25)13-23-24-14(28-13)11(19)27/h1-5,21H,(H2,19,27).
What are the key properties of 5-[7-oxo-5-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazolo[1,5-a]pyrimidin-3-yl]-1,3,4-oxadiazole-2-carboxamide?
5-[7-oxo-5-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazolo[1,5-a]pyrimidin-3-yl]-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 391.27 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-oxo-5-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazolo[1,5-a]pyrimidin-3-yl]-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 170026970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).