N-[2-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]acetamide

C22H24F3N5O2 — CID 71272066

IUPACN-[2-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]acetamide
SMILESCC(=O)Nc1cc(N2CCOCC2)nc2c(Cc3cccc(C(F)(F)F)c3C)c(C)nn12
InChIInChI=1S/C22H24F3N5O2/c1-13-16(5-4-6-18(13)22(23,24)25)11-17-14(2)28-30-20(26-15(3)31)12-19(27-21(17)30)29-7-9-32-10-8-29/h4-6,12H,7-11H2,1-3H3,(H,26,31)
InChIKeyXUHURDPMQZDEOC-UHFFFAOYSA-N
MW447.46 g/mol
LogP3.75
Rot. Bonds4

About N-[2-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]acetamide

N-[2-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]acetamide (PubChem CID 71272066) has the molecular formula C22H24F3N5O2 and a molecular weight of 447.46 g/mol. Its IUPAC name is N-[2-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]acetamide.

Molecular Properties

Compound NameN-[2-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]acetamide
PubChem CID71272066
Molecular FormulaC22H24F3N5O2
Molecular Weight447.46 g/mol
Exact Mass447.19
IUPAC NameN-[2-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]acetamide
SMILESCC(=O)Nc1cc(N2CCOCC2)nc2c(Cc3cccc(C(F)(F)F)c3C)c(C)nn12
InChIInChI=1S/C22H24F3N5O2/c1-13-16(5-4-6-18(13)22(23,24)25)11-17-14(2)28-30-20(26-15(3)31)12-19(27-21(17)30)29-7-9-32-10-8-29/h4-6,12H,7-11H2,1-3H3,(H,26,31)
InChIKeyXUHURDPMQZDEOC-UHFFFAOYSA-N
XLogP3.75
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.46
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]acetamide?
The IUPAC name of N-[2-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]acetamide (CID 71272066) is N-[2-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]acetamide.
What is the SMILES notation for N-[2-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]acetamide?
The canonical SMILES for N-[2-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]acetamide is CC(=O)Nc1cc(N2CCOCC2)nc2c(Cc3cccc(C(F)(F)F)c3C)c(C)nn12.
What is the InChIKey of N-[2-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]acetamide?
The InChIKey is XUHURDPMQZDEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N5O2/c1-13-16(5-4-6-18(13)22(23,24)25)11-17-14(2)28-30-20(26-15(3)31)12-19(27-21(17)30)29-7-9-32-10-8-29/h4-6,12H,7-11H2,1-3H3,(H,26,31).
What are the key properties of N-[2-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]acetamide?
N-[2-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]acetamide has a molecular weight of 447.46 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]acetamide is sourced from PubChem (CID 71272066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).