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

C25H19N5O2 — CID 46883709

IUPAC3-methoxy-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]benzamide
SMILESCOc1cccc(C(=O)Nc2cccc(-c3ccnc4cc(-c5ccncc5)nn34)c2)c1
InChIInChI=1S/C25H19N5O2/c1-32-21-7-3-5-19(15-21)25(31)28-20-6-2-4-18(14-20)23-10-13-27-24-16-22(29-30(23)24)17-8-11-26-12-9-17/h2-16H,1H3,(H,28,31)
InChIKeyYVFZEXDTSJHDSK-UHFFFAOYSA-N
MW421.46 g/mol
LogP4.72
Rot. Bonds5

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

3-methoxy-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]benzamide (PubChem CID 46883709) has the molecular formula C25H19N5O2 and a molecular weight of 421.46 g/mol. Its IUPAC name is 3-methoxy-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]benzamide
PubChem CID46883709
Molecular FormulaC25H19N5O2
Molecular Weight421.46 g/mol
Exact Mass421.15
IUPAC Name3-methoxy-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]benzamide
SMILESCOc1cccc(C(=O)Nc2cccc(-c3ccnc4cc(-c5ccncc5)nn34)c2)c1
InChIInChI=1S/C25H19N5O2/c1-32-21-7-3-5-19(15-21)25(31)28-20-6-2-4-18(14-20)23-10-13-27-24-16-22(29-30(23)24)17-8-11-26-12-9-17/h2-16H,1H3,(H,28,31)
InChIKeyYVFZEXDTSJHDSK-UHFFFAOYSA-N
XLogP4.72
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]benzamide?
The IUPAC name of 3-methoxy-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]benzamide (CID 46883709) is 3-methoxy-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]benzamide?
The canonical SMILES for 3-methoxy-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]benzamide is COc1cccc(C(=O)Nc2cccc(-c3ccnc4cc(-c5ccncc5)nn34)c2)c1.
What is the InChIKey of 3-methoxy-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]benzamide?
The InChIKey is YVFZEXDTSJHDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N5O2/c1-32-21-7-3-5-19(15-21)25(31)28-20-6-2-4-18(14-20)23-10-13-27-24-16-22(29-30(23)24)17-8-11-26-12-9-17/h2-16H,1H3,(H,28,31).
What are the key properties of 3-methoxy-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]benzamide?
3-methoxy-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]benzamide has a molecular weight of 421.46 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]benzamide is sourced from PubChem (CID 46883709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).