4-methyl-3-(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)oxy-N-[3-(2,2,2-trifluoroethyl)phenyl]benzamide

C25H22F3N5O2 — CID 174174848

IUPAC4-methyl-3-(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)oxy-N-[3-(2,2,2-trifluoroethyl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(CC(F)(F)F)c2)cc1OC1CN(c2cnn3ccncc23)C1
InChIInChI=1S/C25H22F3N5O2/c1-16-5-6-18(24(34)31-19-4-2-3-17(9-19)11-25(26,27)28)10-23(16)35-20-14-32(15-20)21-13-30-33-8-7-29-12-22(21)33/h2-10,12-13,20H,11,14-15H2,1H3,(H,31,34)
InChIKeyBKSOOZRGUQDYEK-UHFFFAOYSA-N
MW481.48 g/mol
LogP4.66
Rot. Bonds6

About 4-methyl-3-(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)oxy-N-[3-(2,2,2-trifluoroethyl)phenyl]benzamide

4-methyl-3-(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)oxy-N-[3-(2,2,2-trifluoroethyl)phenyl]benzamide (PubChem CID 174174848) has the molecular formula C25H22F3N5O2 and a molecular weight of 481.48 g/mol. Its IUPAC name is 4-methyl-3-(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)oxy-N-[3-(2,2,2-trifluoroethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-methyl-3-(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)oxy-N-[3-(2,2,2-trifluoroethyl)phenyl]benzamide
PubChem CID174174848
Molecular FormulaC25H22F3N5O2
Molecular Weight481.48 g/mol
Exact Mass481.17
IUPAC Name4-methyl-3-(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)oxy-N-[3-(2,2,2-trifluoroethyl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(CC(F)(F)F)c2)cc1OC1CN(c2cnn3ccncc23)C1
InChIInChI=1S/C25H22F3N5O2/c1-16-5-6-18(24(34)31-19-4-2-3-17(9-19)11-25(26,27)28)10-23(16)35-20-14-32(15-20)21-13-30-33-8-7-29-12-22(21)33/h2-10,12-13,20H,11,14-15H2,1H3,(H,31,34)
InChIKeyBKSOOZRGUQDYEK-UHFFFAOYSA-N
XLogP4.66
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.48
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-(2,2,2-trifluoroethyl)phenyl]benzamide?
The IUPAC name of 4-methyl-3-(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)oxy-N-[3-(2,2,2-trifluoroethyl)phenyl]benzamide (CID 174174848) is 4-methyl-3-(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)oxy-N-[3-(2,2,2-trifluoroethyl)phenyl]benzamide.
What is the SMILES notation for 4-methyl-3-(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)oxy-N-[3-(2,2,2-trifluoroethyl)phenyl]benzamide?
The canonical SMILES for 4-methyl-3-(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)oxy-N-[3-(2,2,2-trifluoroethyl)phenyl]benzamide is Cc1ccc(C(=O)Nc2cccc(CC(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-(2,2,2-trifluoroethyl)phenyl]benzamide?
The InChIKey is BKSOOZRGUQDYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N5O2/c1-16-5-6-18(24(34)31-19-4-2-3-17(9-19)11-25(26,27)28)10-23(16)35-20-14-32(15-20)21-13-30-33-8-7-29-12-22(21)33/h2-10,12-13,20H,11,14-15H2,1H3,(H,31,34).
What are the key properties of 4-methyl-3-(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)oxy-N-[3-(2,2,2-trifluoroethyl)phenyl]benzamide?
4-methyl-3-(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)oxy-N-[3-(2,2,2-trifluoroethyl)phenyl]benzamide has a molecular weight of 481.48 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 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-(2,2,2-trifluoroethyl)phenyl]benzamide is sourced from PubChem (CID 174174848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).