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

C23H19F3N6O3 — CID 174174730

IUPAC4-methyl-3-(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)oxy-N-[5-(trifluoromethoxy)-3-pyridinyl]benzamide
SMILESCc1ccc(C(=O)Nc2cncc(OC(F)(F)F)c2)cc1OC1CN(c2cnn3ccncc23)C1
InChIInChI=1S/C23H19F3N6O3/c1-14-2-3-15(22(33)30-16-7-17(9-28-8-16)35-23(24,25)26)6-21(14)34-18-12-31(13-18)19-11-29-32-5-4-27-10-20(19)32/h2-11,18H,12-13H2,1H3,(H,30,33)
InChIKeyUDONBVCVTKKNJX-UHFFFAOYSA-N
MW484.44 g/mol
LogP3.85
Rot. Bonds6

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

4-methyl-3-(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)oxy-N-[5-(trifluoromethoxy)-3-pyridinyl]benzamide (PubChem CID 174174730) has the molecular formula C23H19F3N6O3 and a molecular weight of 484.44 g/mol. Its IUPAC name is 4-methyl-3-(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)oxy-N-[5-(trifluoromethoxy)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name4-methyl-3-(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)oxy-N-[5-(trifluoromethoxy)-3-pyridinyl]benzamide
PubChem CID174174730
Molecular FormulaC23H19F3N6O3
Molecular Weight484.44 g/mol
Exact Mass484.15
IUPAC Name4-methyl-3-(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)oxy-N-[5-(trifluoromethoxy)-3-pyridinyl]benzamide
SMILESCc1ccc(C(=O)Nc2cncc(OC(F)(F)F)c2)cc1OC1CN(c2cnn3ccncc23)C1
InChIInChI=1S/C23H19F3N6O3/c1-14-2-3-15(22(33)30-16-7-17(9-28-8-16)35-23(24,25)26)6-21(14)34-18-12-31(13-18)19-11-29-32-5-4-27-10-20(19)32/h2-11,18H,12-13H2,1H3,(H,30,33)
InChIKeyUDONBVCVTKKNJX-UHFFFAOYSA-N
XLogP3.85
TPSA93.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.44
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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-[5-(trifluoromethoxy)-3-pyridinyl]benzamide?
The IUPAC name of 4-methyl-3-(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)oxy-N-[5-(trifluoromethoxy)-3-pyridinyl]benzamide (CID 174174730) is 4-methyl-3-(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)oxy-N-[5-(trifluoromethoxy)-3-pyridinyl]benzamide.
What is the SMILES notation for 4-methyl-3-(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)oxy-N-[5-(trifluoromethoxy)-3-pyridinyl]benzamide?
The canonical SMILES for 4-methyl-3-(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)oxy-N-[5-(trifluoromethoxy)-3-pyridinyl]benzamide is Cc1ccc(C(=O)Nc2cncc(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-[5-(trifluoromethoxy)-3-pyridinyl]benzamide?
The InChIKey is UDONBVCVTKKNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N6O3/c1-14-2-3-15(22(33)30-16-7-17(9-28-8-16)35-23(24,25)26)6-21(14)34-18-12-31(13-18)19-11-29-32-5-4-27-10-20(19)32/h2-11,18H,12-13H2,1H3,(H,30,33).
What are the key properties of 4-methyl-3-(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)oxy-N-[5-(trifluoromethoxy)-3-pyridinyl]benzamide?
4-methyl-3-(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)oxy-N-[5-(trifluoromethoxy)-3-pyridinyl]benzamide has a molecular weight of 484.44 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 8 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-[5-(trifluoromethoxy)-3-pyridinyl]benzamide is sourced from PubChem (CID 174174730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).