5-methyl-3-phenyl-6-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

C21H13F3N6O2 — CID 138557527

IUPAC5-methyl-3-phenyl-6-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2c(-c3ccccc3)c(C(F)(F)F)[nH]n2c(=O)c1-c1nnc(-c2cccnc2)o1
InChIInChI=1S/C21H13F3N6O2/c1-11-14(19-28-27-18(32-19)13-8-5-9-25-10-13)20(31)30-17(26-11)15(12-6-3-2-4-7-12)16(29-30)21(22,23)24/h2-10,29H,1H3
InChIKeyFAIPNPQEFDMPII-UHFFFAOYSA-N
MW438.37 g/mol
LogP4.13
Rot. Bonds3

About 5-methyl-3-phenyl-6-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-methyl-3-phenyl-6-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 138557527) has the molecular formula C21H13F3N6O2 and a molecular weight of 438.37 g/mol. Its IUPAC name is 5-methyl-3-phenyl-6-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-methyl-3-phenyl-6-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID138557527
Molecular FormulaC21H13F3N6O2
Molecular Weight438.37 g/mol
Exact Mass438.11
IUPAC Name5-methyl-3-phenyl-6-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2c(-c3ccccc3)c(C(F)(F)F)[nH]n2c(=O)c1-c1nnc(-c2cccnc2)o1
InChIInChI=1S/C21H13F3N6O2/c1-11-14(19-28-27-18(32-19)13-8-5-9-25-10-13)20(31)30-17(26-11)15(12-6-3-2-4-7-12)16(29-30)21(22,23)24/h2-10,29H,1H3
InChIKeyFAIPNPQEFDMPII-UHFFFAOYSA-N
XLogP4.13
TPSA101.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.37
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-Amino-2-(4-fluoro-phenyl)-6-oxo-6H-pyrimidin-1-yl]-N-[2-methyl-1-(5-pyridin-3-yl-[1,3,4]oxadiazole-2-carbonyl)-propyl]-acetamide
CID 10767409
3-phenyl-6-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 155884275
2-Methyl-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)quinazolin-4(3h)-one
CID 129884725
2-Methyl-5-[6-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-1,3,4-oxadiazole
CID 139220143
5-[4-(1,3,4-oxadiazol-2-yl)phenyl]-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 70925576
1-[3-(5-Ethyl-1,3,4-oxadiazol-2-YL)pyridin-2-YL]-4-[2-(trifluoromethyl)benzoyl]piperazine
CID 53134080
4-[3-(5-Ethyl-1,3,4-oxadiazol-2-YL)pyridin-2-YL]-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide
CID 53134100
N-(2-Ethylphenyl)-4-[3-(5-propyl-1,3,4-oxadiazol-2-YL)pyridin-2-YL]piperazine-1-carboxamide
CID 53134118
N-(3,5-Difluorophenyl)-4-{3-[5-(propan-2-YL)-1,3,4-oxadiazol-2-YL]pyridin-2-YL}piperazine-1-carboxamide
CID 87050182
2-[5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[3-methyl-1-oxo-1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)butan-2-yl]acetamide
CID 18762411
2-[2-Methyl-5-(trifluoromethyl)pyridin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 68741283
N-cyclohexa-1,3-dien-1-yl-5-[2-[(3,4-difluorophenyl)methylamino]-3-pyridinyl]-N-(1,4-dioxin-2-yl)-1,3,4-oxadiazol-2-amine
CID 68943014

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-phenyl-6-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-methyl-3-phenyl-6-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 138557527) is 5-methyl-3-phenyl-6-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-methyl-3-phenyl-6-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-methyl-3-phenyl-6-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1nc2c(-c3ccccc3)c(C(F)(F)F)[nH]n2c(=O)c1-c1nnc(-c2cccnc2)o1.
What is the InChIKey of 5-methyl-3-phenyl-6-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is FAIPNPQEFDMPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F3N6O2/c1-11-14(19-28-27-18(32-19)13-8-5-9-25-10-13)20(31)30-17(26-11)15(12-6-3-2-4-7-12)16(29-30)21(22,23)24/h2-10,29H,1H3.
What are the key properties of 5-methyl-3-phenyl-6-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-methyl-3-phenyl-6-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 438.37 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-phenyl-6-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 138557527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).