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

C25H16F3N5O — CID 46880107

IUPACN-[3-(3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc(-c2ccnc3c(-c4cccnc4)cnn23)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C25H16F3N5O/c26-25(27,28)19-7-1-5-17(12-19)24(34)32-20-8-2-4-16(13-20)22-9-11-30-23-21(15-31-33(22)23)18-6-3-10-29-14-18/h1-15H,(H,32,34)
InChIKeyUAQFLCCYSVWUFS-UHFFFAOYSA-N
MW459.43 g/mol
LogP5.73
Rot. Bonds4

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

N-[3-(3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 46880107) has the molecular formula C25H16F3N5O and a molecular weight of 459.43 g/mol. Its IUPAC name is N-[3-(3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-(3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide
PubChem CID46880107
Molecular FormulaC25H16F3N5O
Molecular Weight459.43 g/mol
Exact Mass459.13
IUPAC NameN-[3-(3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc(-c2ccnc3c(-c4cccnc4)cnn23)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C25H16F3N5O/c26-25(27,28)19-7-1-5-17(12-19)24(34)32-20-8-2-4-16(13-20)22-9-11-30-23-21(15-31-33(22)23)18-6-3-10-29-14-18/h1-15H,(H,32,34)
InChIKeyUAQFLCCYSVWUFS-UHFFFAOYSA-N
XLogP5.73
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.43
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-(3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide (CID 46880107) is N-[3-(3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-(3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-(3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide is O=C(Nc1cccc(-c2ccnc3c(-c4cccnc4)cnn23)c1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[3-(3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is UAQFLCCYSVWUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16F3N5O/c26-25(27,28)19-7-1-5-17(12-19)24(34)32-20-8-2-4-16(13-20)22-9-11-30-23-21(15-31-33(22)23)18-6-3-10-29-14-18/h1-15H,(H,32,34).
What are the key properties of N-[3-(3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide?
N-[3-(3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 459.43 g/mol, XLogP of 5.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 46880107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).