6-(4-methoxy-1,3-benzoxazol-2-yl)-5-(methoxymethyl)-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one

C23H21F3N4O4 — CID 155884011

IUPAC6-(4-methoxy-1,3-benzoxazol-2-yl)-5-(methoxymethyl)-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOCC1=C(c2nc3c(OC)cccc3o2)C(=O)N2NC(C(F)(F)F)C(c3ccccc3)C2N1
InChIInChI=1S/C23H21F3N4O4/c1-32-11-13-17(21-28-18-14(33-2)9-6-10-15(18)34-21)22(31)30-20(27-13)16(12-7-4-3-5-8-12)19(29-30)23(24,25)26/h3-10,16,19-20,27,29H,11H2,1-2H3
InChIKeyKSMNUSBDIQEPGM-UHFFFAOYSA-N
MW474.44 g/mol
LogP3.18
Rot. Bonds5

About 6-(4-methoxy-1,3-benzoxazol-2-yl)-5-(methoxymethyl)-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one

6-(4-methoxy-1,3-benzoxazol-2-yl)-5-(methoxymethyl)-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 155884011) has the molecular formula C23H21F3N4O4 and a molecular weight of 474.44 g/mol. Its IUPAC name is 6-(4-methoxy-1,3-benzoxazol-2-yl)-5-(methoxymethyl)-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-(4-methoxy-1,3-benzoxazol-2-yl)-5-(methoxymethyl)-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID155884011
Molecular FormulaC23H21F3N4O4
Molecular Weight474.44 g/mol
Exact Mass474.15
IUPAC Name6-(4-methoxy-1,3-benzoxazol-2-yl)-5-(methoxymethyl)-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOCC1=C(c2nc3c(OC)cccc3o2)C(=O)N2NC(C(F)(F)F)C(c3ccccc3)C2N1
InChIInChI=1S/C23H21F3N4O4/c1-32-11-13-17(21-28-18-14(33-2)9-6-10-15(18)34-21)22(31)30-20(27-13)16(12-7-4-3-5-8-12)19(29-30)23(24,25)26/h3-10,16,19-20,27,29H,11H2,1-2H3
InChIKeyKSMNUSBDIQEPGM-UHFFFAOYSA-N
XLogP3.18
TPSA88.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.44
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-(4-methoxy-1,3-benzoxazol-2-yl)-5-(methoxymethyl)-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-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 6-(4-methoxy-1,3-benzoxazol-2-yl)-5-(methoxymethyl)-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-(4-methoxy-1,3-benzoxazol-2-yl)-5-(methoxymethyl)-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 155884011) is 6-(4-methoxy-1,3-benzoxazol-2-yl)-5-(methoxymethyl)-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-(4-methoxy-1,3-benzoxazol-2-yl)-5-(methoxymethyl)-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-(4-methoxy-1,3-benzoxazol-2-yl)-5-(methoxymethyl)-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one is COCC1=C(c2nc3c(OC)cccc3o2)C(=O)N2NC(C(F)(F)F)C(c3ccccc3)C2N1.
What is the InChIKey of 6-(4-methoxy-1,3-benzoxazol-2-yl)-5-(methoxymethyl)-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is KSMNUSBDIQEPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N4O4/c1-32-11-13-17(21-28-18-14(33-2)9-6-10-15(18)34-21)22(31)30-20(27-13)16(12-7-4-3-5-8-12)19(29-30)23(24,25)26/h3-10,16,19-20,27,29H,11H2,1-2H3.
What are the key properties of 6-(4-methoxy-1,3-benzoxazol-2-yl)-5-(methoxymethyl)-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one?
6-(4-methoxy-1,3-benzoxazol-2-yl)-5-(methoxymethyl)-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 474.44 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxy-1,3-benzoxazol-2-yl)-5-(methoxymethyl)-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 155884011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).