4-methyl-N-[2-methyl-5-(trifluoromethoxy)phenyl]-3-(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)oxybenzamide

C25H22F3N5O3 — CID 174174765

IUPAC4-methyl-N-[2-methyl-5-(trifluoromethoxy)phenyl]-3-(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)oxybenzamide
SMILESCc1ccc(OC(F)(F)F)cc1NC(=O)c1ccc(C)c(OC2CN(c3cnn4ccncc34)C2)c1
InChIInChI=1S/C25H22F3N5O3/c1-15-4-6-18(36-25(26,27)28)10-20(15)31-24(34)17-5-3-16(2)23(9-17)35-19-13-32(14-19)21-12-30-33-8-7-29-11-22(21)33/h3-12,19H,13-14H2,1-2H3,(H,31,34)
InChIKeyZDXAVTPGYWIFPT-UHFFFAOYSA-N
MW497.48 g/mol
LogP4.76
Rot. Bonds6

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

4-methyl-N-[2-methyl-5-(trifluoromethoxy)phenyl]-3-(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)oxybenzamide (PubChem CID 174174765) has the molecular formula C25H22F3N5O3 and a molecular weight of 497.48 g/mol. Its IUPAC name is 4-methyl-N-[2-methyl-5-(trifluoromethoxy)phenyl]-3-(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)oxybenzamide.

Molecular Properties

Compound Name4-methyl-N-[2-methyl-5-(trifluoromethoxy)phenyl]-3-(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)oxybenzamide
PubChem CID174174765
Molecular FormulaC25H22F3N5O3
Molecular Weight497.48 g/mol
Exact Mass497.17
IUPAC Name4-methyl-N-[2-methyl-5-(trifluoromethoxy)phenyl]-3-(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)oxybenzamide
SMILESCc1ccc(OC(F)(F)F)cc1NC(=O)c1ccc(C)c(OC2CN(c3cnn4ccncc34)C2)c1
InChIInChI=1S/C25H22F3N5O3/c1-15-4-6-18(36-25(26,27)28)10-20(15)31-24(34)17-5-3-16(2)23(9-17)35-19-13-32(14-19)21-12-30-33-8-7-29-11-22(21)33/h3-12,19H,13-14H2,1-2H3,(H,31,34)
InChIKeyZDXAVTPGYWIFPT-UHFFFAOYSA-N
XLogP4.76
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.48
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-methyl-5-(trifluoromethoxy)phenyl]-3-(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)oxybenzamide?
The IUPAC name of 4-methyl-N-[2-methyl-5-(trifluoromethoxy)phenyl]-3-(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)oxybenzamide (CID 174174765) is 4-methyl-N-[2-methyl-5-(trifluoromethoxy)phenyl]-3-(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)oxybenzamide.
What is the SMILES notation for 4-methyl-N-[2-methyl-5-(trifluoromethoxy)phenyl]-3-(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)oxybenzamide?
The canonical SMILES for 4-methyl-N-[2-methyl-5-(trifluoromethoxy)phenyl]-3-(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)oxybenzamide is Cc1ccc(OC(F)(F)F)cc1NC(=O)c1ccc(C)c(OC2CN(c3cnn4ccncc34)C2)c1.
What is the InChIKey of 4-methyl-N-[2-methyl-5-(trifluoromethoxy)phenyl]-3-(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)oxybenzamide?
The InChIKey is ZDXAVTPGYWIFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N5O3/c1-15-4-6-18(36-25(26,27)28)10-20(15)31-24(34)17-5-3-16(2)23(9-17)35-19-13-32(14-19)21-12-30-33-8-7-29-11-22(21)33/h3-12,19H,13-14H2,1-2H3,(H,31,34).
What are the key properties of 4-methyl-N-[2-methyl-5-(trifluoromethoxy)phenyl]-3-(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)oxybenzamide?
4-methyl-N-[2-methyl-5-(trifluoromethoxy)phenyl]-3-(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)oxybenzamide has a molecular weight of 497.48 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-methyl-5-(trifluoromethoxy)phenyl]-3-(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)oxybenzamide is sourced from PubChem (CID 174174765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).