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

C24H20F3N5O2 — CID 24768568

IUPACN-[3-(2-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc(-c2ccnc3cc(N4CCOCC4)nn23)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H20F3N5O2/c25-24(26,27)18-5-1-4-17(13-18)23(33)29-19-6-2-3-16(14-19)20-7-8-28-21-15-22(30-32(20)21)31-9-11-34-12-10-31/h1-8,13-15H,9-12H2,(H,29,33)
InChIKeyCSBJRBYRFSOSAV-UHFFFAOYSA-N
MW467.45 g/mol
LogP4.50
Rot. Bonds4

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

N-[3-(2-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 24768568) has the molecular formula C24H20F3N5O2 and a molecular weight of 467.45 g/mol. Its IUPAC name is N-[3-(2-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-(2-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide
PubChem CID24768568
Molecular FormulaC24H20F3N5O2
Molecular Weight467.45 g/mol
Exact Mass467.16
IUPAC NameN-[3-(2-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc(-c2ccnc3cc(N4CCOCC4)nn23)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H20F3N5O2/c25-24(26,27)18-5-1-4-17(13-18)23(33)29-19-6-2-3-16(14-19)20-7-8-28-21-15-22(30-32(20)21)31-9-11-34-12-10-31/h1-8,13-15H,9-12H2,(H,29,33)
InChIKeyCSBJRBYRFSOSAV-UHFFFAOYSA-N
XLogP4.50
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.45
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-(2-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide (CID 24768568) is N-[3-(2-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-(2-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-(2-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide is O=C(Nc1cccc(-c2ccnc3cc(N4CCOCC4)nn23)c1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[3-(2-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is CSBJRBYRFSOSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N5O2/c25-24(26,27)18-5-1-4-17(13-18)23(33)29-19-6-2-3-16(14-19)20-7-8-28-21-15-22(30-32(20)21)31-9-11-34-12-10-31/h1-8,13-15H,9-12H2,(H,29,33).
What are the key properties of N-[3-(2-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide?
N-[3-(2-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 467.45 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 24768568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).