2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)-N-[3-(trifluoromethoxy)phenyl]acetamide

C18H17F3N6O3 — CID 53196408

IUPAC2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)-N-[3-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(Cn1ncc2c(N3CCOCC3)ncnc21)Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C18H17F3N6O3/c19-18(20,21)30-13-3-1-2-12(8-13)25-15(28)10-27-17-14(9-24-27)16(22-11-23-17)26-4-6-29-7-5-26/h1-3,8-9,11H,4-7,10H2,(H,25,28)
InChIKeyJHGRCKYNVKJRIE-UHFFFAOYSA-N
MW422.37 g/mol
LogP2.20
Rot. Bonds5

About 2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)-N-[3-(trifluoromethoxy)phenyl]acetamide

2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)-N-[3-(trifluoromethoxy)phenyl]acetamide (PubChem CID 53196408) has the molecular formula C18H17F3N6O3 and a molecular weight of 422.37 g/mol. Its IUPAC name is 2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)-N-[3-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)-N-[3-(trifluoromethoxy)phenyl]acetamide
PubChem CID53196408
Molecular FormulaC18H17F3N6O3
Molecular Weight422.37 g/mol
Exact Mass422.13
IUPAC Name2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)-N-[3-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(Cn1ncc2c(N3CCOCC3)ncnc21)Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C18H17F3N6O3/c19-18(20,21)30-13-3-1-2-12(8-13)25-15(28)10-27-17-14(9-24-27)16(22-11-23-17)26-4-6-29-7-5-26/h1-3,8-9,11H,4-7,10H2,(H,25,28)
InChIKeyJHGRCKYNVKJRIE-UHFFFAOYSA-N
XLogP2.20
TPSA94.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.37
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)-N-[3-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)-N-[3-(trifluoromethoxy)phenyl]acetamide (CID 53196408) is 2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)-N-[3-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)-N-[3-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)-N-[3-(trifluoromethoxy)phenyl]acetamide is O=C(Cn1ncc2c(N3CCOCC3)ncnc21)Nc1cccc(OC(F)(F)F)c1.
What is the InChIKey of 2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)-N-[3-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is JHGRCKYNVKJRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N6O3/c19-18(20,21)30-13-3-1-2-12(8-13)25-15(28)10-27-17-14(9-24-27)16(22-11-23-17)26-4-6-29-7-5-26/h1-3,8-9,11H,4-7,10H2,(H,25,28).
What are the key properties of 2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)-N-[3-(trifluoromethoxy)phenyl]acetamide?
2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)-N-[3-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 422.37 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)-N-[3-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 53196408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).