6-[3-(hydroxymethyl)-8-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

C23H22F3N5O3 — CID 155884165

IUPAC6-[3-(hydroxymethyl)-8-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
SMILESCOc1cccn2c(CO)c(C3=C(C)NC4C(c5ccccc5)C(C(F)(F)F)NN4C3=O)nc12
InChIInChI=1S/C23H22F3N5O3/c1-12-16(18-14(11-32)30-10-6-9-15(34-2)20(30)28-18)22(33)31-21(27-12)17(13-7-4-3-5-8-13)19(29-31)23(24,25)26/h3-10,17,19,21,27,29,32H,11H2,1-2H3
InChIKeyLZVMRAAVTRQZIE-UHFFFAOYSA-N
MW473.46 g/mol
LogP2.56
Rot. Bonds4

About 6-[3-(hydroxymethyl)-8-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-[3-(hydroxymethyl)-8-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 155884165) has the molecular formula C23H22F3N5O3 and a molecular weight of 473.46 g/mol. Its IUPAC name is 6-[3-(hydroxymethyl)-8-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-[3-(hydroxymethyl)-8-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 CID155884165
Molecular FormulaC23H22F3N5O3
Molecular Weight473.46 g/mol
Exact Mass473.17
IUPAC Name6-[3-(hydroxymethyl)-8-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
SMILESCOc1cccn2c(CO)c(C3=C(C)NC4C(c5ccccc5)C(C(F)(F)F)NN4C3=O)nc12
InChIInChI=1S/C23H22F3N5O3/c1-12-16(18-14(11-32)30-10-6-9-15(34-2)20(30)28-18)22(33)31-21(27-12)17(13-7-4-3-5-8-13)19(29-31)23(24,25)26/h3-10,17,19,21,27,29,32H,11H2,1-2H3
InChIKeyLZVMRAAVTRQZIE-UHFFFAOYSA-N
XLogP2.56
TPSA91.13 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.46
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-[3-(hydroxymethyl)-8-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(hydroxymethyl)-8-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-[3-(hydroxymethyl)-8-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 155884165) is 6-[3-(hydroxymethyl)-8-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-[3-(hydroxymethyl)-8-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-[3-(hydroxymethyl)-8-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 COc1cccn2c(CO)c(C3=C(C)NC4C(c5ccccc5)C(C(F)(F)F)NN4C3=O)nc12.
What is the InChIKey of 6-[3-(hydroxymethyl)-8-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 LZVMRAAVTRQZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N5O3/c1-12-16(18-14(11-32)30-10-6-9-15(34-2)20(30)28-18)22(33)31-21(27-12)17(13-7-4-3-5-8-13)19(29-31)23(24,25)26/h3-10,17,19,21,27,29,32H,11H2,1-2H3.
What are the key properties of 6-[3-(hydroxymethyl)-8-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-[3-(hydroxymethyl)-8-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 473.46 g/mol, XLogP of 2.56, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(hydroxymethyl)-8-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 155884165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).