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

C22H15F3N6O3 — CID 138557425

IUPAC6-[5-(2-methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-5-methyl-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ncccc1-c1nnc(-c2c(C)nc3c(-c4ccccc4)c(C(F)(F)F)[nH]n3c2=O)o1
InChIInChI=1S/C22H15F3N6O3/c1-11-14(20-29-28-19(34-20)13-9-6-10-26-18(13)33-2)21(32)31-17(27-11)15(12-7-4-3-5-8-12)16(30-31)22(23,24)25/h3-10,30H,1-2H3
InChIKeyIFPLXMGQXXLUQY-UHFFFAOYSA-N
MW468.40 g/mol
LogP4.14
Rot. Bonds4

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

6-[5-(2-methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-5-methyl-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 138557425) has the molecular formula C22H15F3N6O3 and a molecular weight of 468.40 g/mol. Its IUPAC name is 6-[5-(2-methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-5-methyl-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-[5-(2-methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-5-methyl-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID138557425
Molecular FormulaC22H15F3N6O3
Molecular Weight468.40 g/mol
Exact Mass468.12
IUPAC Name6-[5-(2-methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-5-methyl-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ncccc1-c1nnc(-c2c(C)nc3c(-c4ccccc4)c(C(F)(F)F)[nH]n3c2=O)o1
InChIInChI=1S/C22H15F3N6O3/c1-11-14(20-29-28-19(34-20)13-9-6-10-26-18(13)33-2)21(32)31-17(27-11)15(12-7-4-3-5-8-12)16(30-31)22(23,24)25/h3-10,30H,1-2H3
InChIKeyIFPLXMGQXXLUQY-UHFFFAOYSA-N
XLogP4.14
TPSA111.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.40
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-[5-(2-methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-5-methyl-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one with MolForge

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Related Compounds

6-[5-(2-methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-5-methyl-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 155884276
N-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3,3a-dihydropyrazolo[1,5-a]pyrimidin-3-yl]-2-methoxypyridine-3-carboxamide
CID 134490977
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
2-(4-Fluorophenyl)-5-(2-methoxy-3-pyridinyl)-1,3,4-oxadiazole
CID 99962711
2-(2-Ethoxy-3-pyridinyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole
CID 99962712
2-(2-Fluorophenyl)-5-(2-methoxy-3-pyridinyl)-1,3,4-oxadiazole
CID 99962731
2-(2-Ethoxy-3-pyridinyl)-5-(2-fluorophenyl)-1,3,4-oxadiazole
CID 99962732
(2-Methoxypyridin-3-yl)(3-(5-(4-(trifluoromethyl)phenyl)-1,3,4-oxadiazol-2-yl)piperidin-1-yl)methanone
CID 121069133
2-(2,2-difluoroethoxy)-N-[3-(2H-tetrazol-5-yl)phenyl]pyridine-3-carboxamide
CID 136518368
3-phenyl-6-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 177666765
6-[5-(2-methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 153270701
2,5-dimethyl-3-phenyl-6-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 159682569

Frequently Asked Questions

What is the IUPAC name of 6-[5-(2-methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-5-methyl-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-[5-(2-methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-5-methyl-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 138557425) is 6-[5-(2-methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-5-methyl-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-[5-(2-methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-5-methyl-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-[5-(2-methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-5-methyl-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is COc1ncccc1-c1nnc(-c2c(C)nc3c(-c4ccccc4)c(C(F)(F)F)[nH]n3c2=O)o1.
What is the InChIKey of 6-[5-(2-methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-5-methyl-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is IFPLXMGQXXLUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N6O3/c1-11-14(20-29-28-19(34-20)13-9-6-10-26-18(13)33-2)21(32)31-17(27-11)15(12-7-4-3-5-8-12)16(30-31)22(23,24)25/h3-10,30H,1-2H3.
What are the key properties of 6-[5-(2-methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-5-methyl-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
6-[5-(2-methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-5-methyl-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 468.40 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(2-methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-5-methyl-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 138557425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).