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

C24H19F4N5O2 — CID 174174715

IUPACN-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-3-(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)oxybenzamide
SMILESCc1ccc(C(=O)Nc2cc(F)cc(C(F)(F)F)c2)cc1OC1CN(c2cnn3ccncc23)C1
InChIInChI=1S/C24H19F4N5O2/c1-14-2-3-15(23(34)31-18-8-16(24(26,27)28)7-17(25)9-18)6-22(14)35-19-12-32(13-19)20-11-30-33-5-4-29-10-21(20)33/h2-11,19H,12-13H2,1H3,(H,31,34)
InChIKeyBCMZXSQSSNIRIW-UHFFFAOYSA-N
MW485.44 g/mol
LogP4.72
Rot. Bonds5

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

N-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-3-(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)oxybenzamide (PubChem CID 174174715) has the molecular formula C24H19F4N5O2 and a molecular weight of 485.44 g/mol. Its IUPAC name is N-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-3-(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)oxybenzamide.

Molecular Properties

Compound NameN-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-3-(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)oxybenzamide
PubChem CID174174715
Molecular FormulaC24H19F4N5O2
Molecular Weight485.44 g/mol
Exact Mass485.15
IUPAC NameN-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-3-(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)oxybenzamide
SMILESCc1ccc(C(=O)Nc2cc(F)cc(C(F)(F)F)c2)cc1OC1CN(c2cnn3ccncc23)C1
InChIInChI=1S/C24H19F4N5O2/c1-14-2-3-15(23(34)31-18-8-16(24(26,27)28)7-17(25)9-18)6-22(14)35-19-12-32(13-19)20-11-30-33-5-4-29-10-21(20)33/h2-11,19H,12-13H2,1H3,(H,31,34)
InChIKeyBCMZXSQSSNIRIW-UHFFFAOYSA-N
XLogP4.72
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.44
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-3-(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)oxybenzamide?
The IUPAC name of N-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-3-(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)oxybenzamide (CID 174174715) is N-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-3-(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)oxybenzamide.
What is the SMILES notation for N-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-3-(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)oxybenzamide?
The canonical SMILES for N-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-3-(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)oxybenzamide is Cc1ccc(C(=O)Nc2cc(F)cc(C(F)(F)F)c2)cc1OC1CN(c2cnn3ccncc23)C1.
What is the InChIKey of N-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-3-(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)oxybenzamide?
The InChIKey is BCMZXSQSSNIRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F4N5O2/c1-14-2-3-15(23(34)31-18-8-16(24(26,27)28)7-17(25)9-18)6-22(14)35-19-12-32(13-19)20-11-30-33-5-4-29-10-21(20)33/h2-11,19H,12-13H2,1H3,(H,31,34).
What are the key properties of N-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-3-(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)oxybenzamide?
N-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-3-(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)oxybenzamide has a molecular weight of 485.44 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-3-(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)oxybenzamide is sourced from PubChem (CID 174174715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).