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

C22H19F3N6O3 — CID 155884276

IUPAC6-[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
SMILESCOc1ncccc1-c1nnc(C2=C(C)NC3C(c4ccccc4)C(C(F)(F)F)NN3C2=O)o1
InChIInChI=1S/C22H19F3N6O3/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/h3-10,15-17,27,30H,1-2H3
InChIKeyGCPLIVXNERKWOV-UHFFFAOYSA-N
MW472.43 g/mol
LogP2.86
Rot. Bonds4

About 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

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 (PubChem CID 155884276) has the molecular formula C22H19F3N6O3 and a molecular weight of 472.43 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[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
PubChem CID155884276
Molecular FormulaC22H19F3N6O3
Molecular Weight472.43 g/mol
Exact Mass472.15
IUPAC Name6-[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
SMILESCOc1ncccc1-c1nnc(C2=C(C)NC3C(c4ccccc4)C(C(F)(F)F)NN3C2=O)o1
InChIInChI=1S/C22H19F3N6O3/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/h3-10,15-17,27,30H,1-2H3
InChIKeyGCPLIVXNERKWOV-UHFFFAOYSA-N
XLogP2.86
TPSA105.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.43
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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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)-2,3,3a,4-tetrahydro-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)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 155884276) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ncccc1-c1nnc(C2=C(C)NC3C(c4ccccc4)C(C(F)(F)F)NN3C2=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)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is GCPLIVXNERKWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N6O3/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/h3-10,15-17,27,30H,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)-2,3,3a,4-tetrahydro-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)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 472.43 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 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)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 155884276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).