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

C22H20F3N5O2 — CID 155884012

IUPAC6-(5-methoxyimidazo[1,2-a]pyridin-2-yl)-5-methyl-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1cccc2nc(C3=C(C)NC4C(c5ccccc5)C(C(F)(F)F)NN4C3=O)cn12
InChIInChI=1S/C22H20F3N5O2/c1-12-17(14-11-29-15(27-14)9-6-10-16(29)32-2)21(31)30-20(26-12)18(13-7-4-3-5-8-13)19(28-30)22(23,24)25/h3-11,18-20,26,28H,1-2H3
InChIKeyCNSPYAZZIQTKES-UHFFFAOYSA-N
MW443.43 g/mol
LogP3.06
Rot. Bonds3

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

6-(5-methoxyimidazo[1,2-a]pyridin-2-yl)-5-methyl-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 155884012) has the molecular formula C22H20F3N5O2 and a molecular weight of 443.43 g/mol. Its IUPAC name is 6-(5-methoxyimidazo[1,2-a]pyridin-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-methoxyimidazo[1,2-a]pyridin-2-yl)-5-methyl-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID155884012
Molecular FormulaC22H20F3N5O2
Molecular Weight443.43 g/mol
Exact Mass443.16
IUPAC Name6-(5-methoxyimidazo[1,2-a]pyridin-2-yl)-5-methyl-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1cccc2nc(C3=C(C)NC4C(c5ccccc5)C(C(F)(F)F)NN4C3=O)cn12
InChIInChI=1S/C22H20F3N5O2/c1-12-17(14-11-29-15(27-14)9-6-10-16(29)32-2)21(31)30-20(26-12)18(13-7-4-3-5-8-13)19(28-30)22(23,24)25/h3-11,18-20,26,28H,1-2H3
InChIKeyCNSPYAZZIQTKES-UHFFFAOYSA-N
XLogP3.06
TPSA70.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.43
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(5-methoxyimidazo[1,2-a]pyridin-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-methoxyimidazo[1,2-a]pyridin-2-yl)-5-methyl-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 155884012) is 6-(5-methoxyimidazo[1,2-a]pyridin-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-methoxyimidazo[1,2-a]pyridin-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-methoxyimidazo[1,2-a]pyridin-2-yl)-5-methyl-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one is COc1cccc2nc(C3=C(C)NC4C(c5ccccc5)C(C(F)(F)F)NN4C3=O)cn12.
What is the InChIKey of 6-(5-methoxyimidazo[1,2-a]pyridin-2-yl)-5-methyl-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is CNSPYAZZIQTKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N5O2/c1-12-17(14-11-29-15(27-14)9-6-10-16(29)32-2)21(31)30-20(26-12)18(13-7-4-3-5-8-13)19(28-30)22(23,24)25/h3-11,18-20,26,28H,1-2H3.
What are the key properties of 6-(5-methoxyimidazo[1,2-a]pyridin-2-yl)-5-methyl-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one?
6-(5-methoxyimidazo[1,2-a]pyridin-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 443.43 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methoxyimidazo[1,2-a]pyridin-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 155884012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).