4-methyl-3-(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)oxy-N-[3-(trifluoromethoxy)phenyl]benzamide

C24H20F3N5O3 — CID 174174758

IUPAC4-methyl-3-(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)oxy-N-[3-(trifluoromethoxy)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(OC(F)(F)F)c2)cc1OC1CN(c2cnn3ccncc23)C1
InChIInChI=1S/C24H20F3N5O3/c1-15-5-6-16(23(33)30-17-3-2-4-18(10-17)35-24(25,26)27)9-22(15)34-19-13-31(14-19)20-12-29-32-8-7-28-11-21(20)32/h2-12,19H,13-14H2,1H3,(H,30,33)
InChIKeyQUIYVJMAYXORKL-UHFFFAOYSA-N
MW483.45 g/mol
LogP4.46
Rot. Bonds6

About 4-methyl-3-(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)oxy-N-[3-(trifluoromethoxy)phenyl]benzamide

4-methyl-3-(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)oxy-N-[3-(trifluoromethoxy)phenyl]benzamide (PubChem CID 174174758) has the molecular formula C24H20F3N5O3 and a molecular weight of 483.45 g/mol. Its IUPAC name is 4-methyl-3-(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)oxy-N-[3-(trifluoromethoxy)phenyl]benzamide.

Molecular Properties

Compound Name4-methyl-3-(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)oxy-N-[3-(trifluoromethoxy)phenyl]benzamide
PubChem CID174174758
Molecular FormulaC24H20F3N5O3
Molecular Weight483.45 g/mol
Exact Mass483.15
IUPAC Name4-methyl-3-(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)oxy-N-[3-(trifluoromethoxy)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(OC(F)(F)F)c2)cc1OC1CN(c2cnn3ccncc23)C1
InChIInChI=1S/C24H20F3N5O3/c1-15-5-6-16(23(33)30-17-3-2-4-18(10-17)35-24(25,26)27)9-22(15)34-19-13-31(14-19)20-12-29-32-8-7-28-11-21(20)32/h2-12,19H,13-14H2,1H3,(H,30,33)
InChIKeyQUIYVJMAYXORKL-UHFFFAOYSA-N
XLogP4.46
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.45
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)oxy-N-[3-(trifluoromethoxy)phenyl]benzamide?
The IUPAC name of 4-methyl-3-(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)oxy-N-[3-(trifluoromethoxy)phenyl]benzamide (CID 174174758) is 4-methyl-3-(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)oxy-N-[3-(trifluoromethoxy)phenyl]benzamide.
What is the SMILES notation for 4-methyl-3-(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)oxy-N-[3-(trifluoromethoxy)phenyl]benzamide?
The canonical SMILES for 4-methyl-3-(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)oxy-N-[3-(trifluoromethoxy)phenyl]benzamide is Cc1ccc(C(=O)Nc2cccc(OC(F)(F)F)c2)cc1OC1CN(c2cnn3ccncc23)C1.
What is the InChIKey of 4-methyl-3-(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)oxy-N-[3-(trifluoromethoxy)phenyl]benzamide?
The InChIKey is QUIYVJMAYXORKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N5O3/c1-15-5-6-16(23(33)30-17-3-2-4-18(10-17)35-24(25,26)27)9-22(15)34-19-13-31(14-19)20-12-29-32-8-7-28-11-21(20)32/h2-12,19H,13-14H2,1H3,(H,30,33).
What are the key properties of 4-methyl-3-(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)oxy-N-[3-(trifluoromethoxy)phenyl]benzamide?
4-methyl-3-(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)oxy-N-[3-(trifluoromethoxy)phenyl]benzamide has a molecular weight of 483.45 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)oxy-N-[3-(trifluoromethoxy)phenyl]benzamide is sourced from PubChem (CID 174174758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).