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

C21H18F3N5O3 — CID 155884060

IUPAC5-methyl-2-[5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-6-yl]-[1,3]oxazolo[4,5-c]pyridin-4-one
SMILESCC1=C(c2nc3c(=O)n(C)ccc3o2)C(=O)N2NC(C(F)(F)F)C(c3ccccc3)C2N1
InChIInChI=1S/C21H18F3N5O3/c1-10-13(18-26-15-12(32-18)8-9-28(2)20(15)31)19(30)29-17(25-10)14(11-6-4-3-5-7-11)16(27-29)21(22,23)24/h3-9,14,16-17,25,27H,1-2H3
InChIKeyXMDYMCGUMMTFCM-UHFFFAOYSA-N
MW445.40 g/mol
LogP2.25
Rot. Bonds2

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

5-methyl-2-[5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-6-yl]-[1,3]oxazolo[4,5-c]pyridin-4-one (PubChem CID 155884060) has the molecular formula C21H18F3N5O3 and a molecular weight of 445.40 g/mol. Its IUPAC name is 5-methyl-2-[5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-6-yl]-[1,3]oxazolo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name5-methyl-2-[5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-6-yl]-[1,3]oxazolo[4,5-c]pyridin-4-one
PubChem CID155884060
Molecular FormulaC21H18F3N5O3
Molecular Weight445.40 g/mol
Exact Mass445.14
IUPAC Name5-methyl-2-[5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-6-yl]-[1,3]oxazolo[4,5-c]pyridin-4-one
SMILESCC1=C(c2nc3c(=O)n(C)ccc3o2)C(=O)N2NC(C(F)(F)F)C(c3ccccc3)C2N1
InChIInChI=1S/C21H18F3N5O3/c1-10-13(18-26-15-12(32-18)8-9-28(2)20(15)31)19(30)29-17(25-10)14(11-6-4-3-5-7-11)16(27-29)21(22,23)24/h3-9,14,16-17,25,27H,1-2H3
InChIKeyXMDYMCGUMMTFCM-UHFFFAOYSA-N
XLogP2.25
TPSA92.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.40
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-methyl-2-[5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-6-yl]-[1,3]oxazolo[4,5-c]pyridin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-6-yl]-[1,3]oxazolo[4,5-c]pyridin-4-one?
The IUPAC name of 5-methyl-2-[5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-6-yl]-[1,3]oxazolo[4,5-c]pyridin-4-one (CID 155884060) is 5-methyl-2-[5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-6-yl]-[1,3]oxazolo[4,5-c]pyridin-4-one.
What is the SMILES notation for 5-methyl-2-[5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-6-yl]-[1,3]oxazolo[4,5-c]pyridin-4-one?
The canonical SMILES for 5-methyl-2-[5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-6-yl]-[1,3]oxazolo[4,5-c]pyridin-4-one is CC1=C(c2nc3c(=O)n(C)ccc3o2)C(=O)N2NC(C(F)(F)F)C(c3ccccc3)C2N1.
What is the InChIKey of 5-methyl-2-[5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-6-yl]-[1,3]oxazolo[4,5-c]pyridin-4-one?
The InChIKey is XMDYMCGUMMTFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N5O3/c1-10-13(18-26-15-12(32-18)8-9-28(2)20(15)31)19(30)29-17(25-10)14(11-6-4-3-5-7-11)16(27-29)21(22,23)24/h3-9,14,16-17,25,27H,1-2H3.
What are the key properties of 5-methyl-2-[5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-6-yl]-[1,3]oxazolo[4,5-c]pyridin-4-one?
5-methyl-2-[5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-6-yl]-[1,3]oxazolo[4,5-c]pyridin-4-one has a molecular weight of 445.40 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-6-yl]-[1,3]oxazolo[4,5-c]pyridin-4-one is sourced from PubChem (CID 155884060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).