4-methyl-3-[1-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)azetidin-3-yl]oxy-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide

C24H21F3N6O2 — CID 174174743

IUPAC4-methyl-3-[1-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)azetidin-3-yl]oxy-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide
SMILESCc1ccn2ncc(N3CC(Oc4cc(C(=O)Nc5cncc(C(F)(F)F)c5)ccc4C)C3)c2n1
InChIInChI=1S/C24H21F3N6O2/c1-14-3-4-16(23(34)31-18-8-17(9-28-10-18)24(25,26)27)7-21(14)35-19-12-32(13-19)20-11-29-33-6-5-15(2)30-22(20)33/h3-11,19H,12-13H2,1-2H3,(H,31,34)
InChIKeyQXKKHOQVBLLXBP-UHFFFAOYSA-N
MW482.47 g/mol
LogP4.28
Rot. Bonds5

About 4-methyl-3-[1-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)azetidin-3-yl]oxy-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide

4-methyl-3-[1-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)azetidin-3-yl]oxy-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide (PubChem CID 174174743) has the molecular formula C24H21F3N6O2 and a molecular weight of 482.47 g/mol. Its IUPAC name is 4-methyl-3-[1-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)azetidin-3-yl]oxy-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name4-methyl-3-[1-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)azetidin-3-yl]oxy-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide
PubChem CID174174743
Molecular FormulaC24H21F3N6O2
Molecular Weight482.47 g/mol
Exact Mass482.17
IUPAC Name4-methyl-3-[1-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)azetidin-3-yl]oxy-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide
SMILESCc1ccn2ncc(N3CC(Oc4cc(C(=O)Nc5cncc(C(F)(F)F)c5)ccc4C)C3)c2n1
InChIInChI=1S/C24H21F3N6O2/c1-14-3-4-16(23(34)31-18-8-17(9-28-10-18)24(25,26)27)7-21(14)35-19-12-32(13-19)20-11-29-33-6-5-15(2)30-22(20)33/h3-11,19H,12-13H2,1-2H3,(H,31,34)
InChIKeyQXKKHOQVBLLXBP-UHFFFAOYSA-N
XLogP4.28
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.47
LogP ≤ 54.28
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-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)azetidin-3-yl]oxy-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide?
The IUPAC name of 4-methyl-3-[1-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)azetidin-3-yl]oxy-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide (CID 174174743) is 4-methyl-3-[1-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)azetidin-3-yl]oxy-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide.
What is the SMILES notation for 4-methyl-3-[1-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)azetidin-3-yl]oxy-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide?
The canonical SMILES for 4-methyl-3-[1-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)azetidin-3-yl]oxy-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide is Cc1ccn2ncc(N3CC(Oc4cc(C(=O)Nc5cncc(C(F)(F)F)c5)ccc4C)C3)c2n1.
What is the InChIKey of 4-methyl-3-[1-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)azetidin-3-yl]oxy-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide?
The InChIKey is QXKKHOQVBLLXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N6O2/c1-14-3-4-16(23(34)31-18-8-17(9-28-10-18)24(25,26)27)7-21(14)35-19-12-32(13-19)20-11-29-33-6-5-15(2)30-22(20)33/h3-11,19H,12-13H2,1-2H3,(H,31,34).
What are the key properties of 4-methyl-3-[1-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)azetidin-3-yl]oxy-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide?
4-methyl-3-[1-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)azetidin-3-yl]oxy-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide has a molecular weight of 482.47 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[1-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)azetidin-3-yl]oxy-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide is sourced from PubChem (CID 174174743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).